SOLUTIONS (SALTS) IN FTsalt

 

 

 

[FTsalt-SALTA]      ASalt-liquid

A MOLTEN CHLORIDE/FLUORIDE SOLUTION

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Na,K,Mg,Ca,Sr,Ba//Cl,F (dilute: O,OH)

 

(Chlorides and fluorides of Li, Na, K, Mg, Ca, Sr and Ba with O[2-] and OH[-] in dilute amounts.)

 

Evaluated and optimized at all compositions including reciprocal systems (systems with two or more cations and two or more anions), with the exception of the Ba-containing reciprocal systems (which are only predicted from the model parameters for the common-ion binary sub-systems).

Evaluations for O and OH in dilute solutions rich in fluorides are less precise than when rich in chlorides.

 

Possible miscibility gap in reciprocal systems. Use I option.

 

Density model available for the NaCl-KCl-MgCl2-CaCl2 and LiF-NaF-KF-MgF2-CaF2 molten salt systems. Approximate density calculations may be performed for the entire system Li, Na, K, Mg, Ca // Cl, F : all binary common-cation systems of the type LiCl-LiF, MgCl2-MgF2,… and all LiCl-based chloride binary systems of the type LiCl-NaCl, LiCl-MgCl2,… are then assumed to be ideal (in terms of the volumetric properties). In the Menu Window of Equilib, select the liquid solution FTsalt-SALTA and check the box “include molar volume data and physical properties data”. In the Results Window, the density value (in gram∙cm-3) calculated from the model is displayed (in parentheses) at the 2nd line of the block corresponding to the liquid phase. A system density (in gram∙cm-3) that takes into account the available density data for all phases at equilibrium (liquid + 1 or more solid phases) is displayed below the integral property table.

 

References: 3002, 3007, 3008, 3009, 3010, 3011, 3025, 3026, 3032, 3036, 3039

 

 

[FTsalt-SALTB]      BSalt-liquid

A MOLTEN CHLORIDE SOLUTION

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Na,K,Mg,Ca,Mn,Fe(II),Fe(III),Co,Ni //Cl (dilute: O,OH)

 

LiCl-NaCl-KCl-MgCl2-CaCl2-MnCl2-FeCl2-FeCl3-CoCl2-NiCl2 with O[2-] and OH[-] in dilute amounts.

Molten chloride system evaluated and optimized at all compositions. Evaluations for O and OH in dilute solutions containing MnCl2, FeCl2, FeCl3, CoCl2 and/or NiCl2 are much less precise than in dilute solutions containing LiCl, NaCl, KCl, MgCl2 and/or CaCl2.

 

Density model available for the NaCl-KCl-MgCl2-CaCl2 molten salt system. In the Menu Window of Equilib, select the liquid solution FTsalt-SALTB and check the box “include molar volume data and physical properties data”. In the Results Window, the density value (in gram∙cm-3) calculated from the model is displayed (in parentheses) at the 2nd line of the block corresponding to the liquid phase. A system density (in gram∙cm-3) that takes into account the available density data for all phases at equilibrium (liquid + 1 or more solid phases) is displayed below the integral property table.

 

References: 3002, 3008, 3013, 3014, 3016, 3026

 

 

[FTsalt-SALTC]      CSalt-liquid

A MOLTEN CHLORIDE SOLUTION with AlCl3

 

Approved optimized sub-system of FTsalt-SALT.

Li,Na,K,Mg,Ca,Mn,Fe(II),Fe(III),Co,Ni,Al(tetra),Al(penta),Al2[6+] //Cl

 

LiCl-NaCl-KCl-MgCl2-CaCl2-MnCl2-FeCl2-FeCl3-CoCl2-NiCl2-AlCl3 liquid solution

 

A distinction among 4-coordinated Al[3+] (Al tetra), 5-coordinated Al[3+] (Al penta) and dimeric Al2[6+] is made in the model. The 5-coordinated Al[3+] species (Al penta) was introduced only in order to be consistent with the model used for AlF3-based (cryolitic) systems (see FThall database).

 

Evaluated and optimized at all compositions.

(The AlCl3-FeCl3 binary system was assumed ideal. Note also that the 2 binary terminal solid solutions in the AlCl3-FeCl3 system remain to be optimized.)

 

Miscibility gaps in solutions with AlCl3. Use I option.

 

Density model available for the NaCl-KCl-MgCl2-CaCl2 molten salt system. In the Menu Window of Equilib, select the liquid solution FTsalt-SALTC and check the box “include molar volume data and physical properties data”. In the Results Window, the density value (in gram∙cm-3) calculated from the model is displayed (in parentheses) at the 2nd line of the block corresponding to the liquid phase. A system density (in gram∙cm-3) that takes into account the available density data for all phases at equilibrium (liquid + 1 or more solid phases) is displayed below the integral property table.

 

References: 3002, 3008, 3013, 3014, 3015, 3016, 3026

 

For molten (cryolitic) solutions containing AlF3 use the FThall database.

 

References: 3012

 

 

[FTsalt-SALTD]      DSalt-liquid

A MOLTEN CHLORIDE SOLUTION

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Na,K,Rb,Cs,Mg,Ca,Sr,Ba//Cl (dilute: O,OH)

 

LiCl-NaCl-KCl-RbCl-CsCl-MgCl2-CaCl2-SrCl2-BaCl2 with O[2-] and OH[-] in dilute amounts.

 

Molten chloride system evaluated and optimized at all compositions. Evaluations for O and OH in dilute solutions containing RbCl, CsCl, SrCl2 and/or BaCl2 are much less precise than in dilute solutions containing LiCl, NaCl, KCl, MgCl2 and/or CaCl2.

 

Density model available for the NaCl-KCl-MgCl2-CaCl2 molten salt system. In the Menu Window of Equilib, select the liquid solution FTsalt-SALTD and check the box “include molar volume data and physical properties data”. In the Results Window, the density value (in gram∙cm-3) calculated from the model is displayed (in parentheses) at the 2nd line of the block corresponding to the liquid phase. A system density (in gram∙cm-3) that takes into account the available density data for all phases at equilibrium (liquid + 1 or more solid phases) is displayed below the integral property table.

 

References: 3002, 3007, 3008, 3011, 3026

 

 

[FTsalt-SALTE]      ESalt-liquid

A MOLTEN ALKALI SALT SOLUTION

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Na,K,Rb,Cs//F,Cl,Br,I,NO3,OH

 

Molten salt solution of all fluorides, chlorides, bromides, iodides, nitrates and hydroxides of Li, Na, K, Rb and Cs.

 

All binary systems (AX-AY and AX-BX) have been evaluated and optimized, with the exception of : LiI-LiNO3, RbF-RbNO3, RbF-RbOH, RbCl-RbNO3, RbBr-RbOH, RbI-RbNO3, RbI-RbOH, CsF-CsOH, CsCl-CsOH, CsBr-CsOH, CsI-CsOH and CsI-CsNO3 for which ideal liquid solutions are assumed.

 

All ternary common-ion systems (AX-BX-CX and AX-AY-AZ) of the Li,Na,K,Rb,Cs//F,Cl,Br,I sub-system have been evaluated and optimized.

 

Reciprocal ternary systems (those containing two cations and two anions) optimized only for fluorides and chlorides of Li, Na and K (as in FTsalt-SALTA). Other reciprocal ternary interactions are estimated. Hence, calculations for most multicomponent common-ion systems should be good, but calculations for multicomponent reciprocal systems (containing 2 or more cations and 2 or more anions) will not be as good if any of Rb, Cs, Br, I, NO3 or OH are present.

 

Possible miscibility gap in reciprocal systems. Use I option.

 

FTsalt-SALTE is the only approved FTsalt-SALTx solution containing Br and I. OH and NO3 are also found in FTsalt-SALTF. (OH is also found in other FTsalt-SALTx solutions, but only in dilute amounts.)

Rb and Cs are also found in FTsalt-SALTD and FTsalt-SALTG.  

 

References: 3002, 3004, 3006, 3017

 

 

[FTsalt-SALTF]      FSalt-liquid

A MOLTEN ALKALI SALT SOLUTION

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Na,K //F,Cl,NO3,OH,SO4,CO3

 

Molten salt solution of all fluorides, chlorides, nitrates, hydroxides, sulfates and carbonates of Li, Na and K.

 

All binary systems (AX-AY and AX-BX) but no ternary common-ion systems (AX-BX-CX and AX-AY-AZ) have been evaluated and optimized except LiF-NaF-KF and LiCl-NaCl-KCl.

 

The reciprocal ternary systems (those containing two cations and two anions) that have been optimized are: the fluorides and chlorides of Li, Na and K (as in FTsalt-SALTA); Na,K//Cl,CO3; Na,K//Cl,SO4 and Na,K//CO3,SO4. Other reciprocal ternary interactions are estimated. Hence, calculations for multicomponent common-ion systems should be good, but calculations for multicomponent reciprocal systems (containing 2 or more cations and 2 or more anions) will usually not be as good if any of NO3, OH, SO4 or CO3 are present.

 

Possible miscibility gap in reciprocal systems. Use I option.

 

FTsalt-SALTF is the only FTsalt-SALTx solution containing SO4 and CO3. OH and NO3 are also found in FTsalt-SALTE. (OH is also found in other FTsalt-SALTx solutions, but only in dilute amounts.)

 

References: 3002, 3003, 3004, 3005, 3027

 

 

[FTsalt-SALTG]      GSalt-liquid

A MOLTEN CHLORIDE SOLUTION containing rare-earth chlorides

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Na,K,Rb,Cs,La,Ce //Cl

 

LiCl-NaCl-KCl-RbCl-CsCl-LaCl3-CeCl3 (The LaCl3-CeCl3 binary system was assumed ideal.)

 

This is the only FTsalt molten salt solution containing rare earth salts with Na, K, Rb or Cs halides.

 

References: 3002, 3008, 3018

 

 

[FTsalt-SALTH]      HSalt-liquid

A MOLTEN CHLORIDE SOLUTION with PbCl2

 

Approved optimized sub-system of FTsalt-SALT.

 

Na,K,Ca,Pb //Cl

 

NaCl-KCl-CaCl2-PbCl2.

 

This is the only approved FTsalt molten salt solution containing PbCl2.

 

References: 3002, 3008, 3019

 

 

[FTsalt-SALTI]      ISalt-liquid

A MOLTEN CHLORIDE SOLUTION with ZnCl2

 

Approved optimized sub-system of FTsalt-SALT.

 

Na,K,Mg,Ca,Al(tetra),Al(penta),Al2[6+],Zn //Cl

 

NaCl-KCl-MgCl2-CaCl2-AlCl3-ZnCl2.

 

A distinction among 4-coordinated Al[3+] (Al tetra), 5-coordinated Al[3+] (Al penta) and dimeric Al2[6+] is made in the model. The 5-coordinated Al[3+] species (Al penta) was introduced only in order to be consistent with the model used for AlF3-based (cryolitic) systems (see FThall database).

 

This is the only approved FTsalt molten salt solution containing ZnCl2.

 

Miscibility gaps in solutions with AlCl3. Use I option.

 

Density model available for the NaCl-KCl-MgCl2-CaCl2 and NaCl-KCl-ZnCl2 molten salt systems. In the Menu Window of Equilib, select the liquid solution FTsalt-SALTI and check the box “include molar volume data and physical properties data”. In the Results Window, the density value (in gram∙cm-3) calculated from the model is displayed (in parentheses) at the 2nd line of the block corresponding to the liquid phase. A system density (in gram∙cm-3) that takes into account the available density data for all phases at equilibrium (liquid + 1 or more solid phases) is displayed below the integral property table.

 

References: 3002, 3008, 3015, 3016, 3026, 3038, 3045

 

 

[FTsalt-SALTJ]      JSalt-liquid

A MOLTEN FLUORIDE SOLUTION FOR NUCLEAR APPLICATIONS

 

Approved optimized sub-system of FTsalt-SALT.

 

Li,Th,U(III),U(IV),Pu(III),Pu(IV),Cr(II),Cr(III),Ni(II),Mo(V) //F

 

LiF-ThF4-UF3-UF4-PuF3-PuF4-CrF2-CrF3-NiF2-MoF5.

 

This FTsalt molten salt solution is dedicated to the LiF-ThF4-UF3-UF4-PuF3-PuF4 system for the so-called Molten Salt Nuclear Reactors (MSBR Molten Salt Breeder Reactors for example). It has been developed in collaboration with the PECSA Laboratory of the Université Paris VI (Jussieu), in support of the French CNRS / European proposal for the development of a molten salt reactor technology. ITU-Karlsruhe (Germany) was also involved in the development.

The database has been developed to predict the following :

·        The LiF-ThF4 liquidus and eutectic temperatures ;

·        The solubility of PuF3 in LiF-ThF4 melts ;

·        The impact of the nuclear conversion of ThF4 into UF4 on the solubility of PuF3 in the melt (this includes the Lix(Th,U)yF4y+x solid solutions) ;

·        Estimation of the U3+/U4+ and Pu3+/Pu4+ oxido-reduction behaviour.

In order to evaluate the oxido-reduction behaviour of the molten salt solution contained in Ni-Cr-based alloys (such as Hastelloys), the components CrF2, CrF3, NiF2 and MoF5 were added to the liquid phase as ideal components (i.e. their Gibbs energies g0liquid are included, but these components mix ideally with all other components).  

 

 

[FTsalt-SALT?]      ?Salt-liquid

GENERAL MOLTEN SALT SOLUTION

 

The components that can be used for the calculations are :

- Li,Na,K,Rb,Cs,Ag//F,Cl,Br,I,O,OH,NO3,CO3,SO4

- Mg,Ca,Sr,Ba//F,Cl,O,OH,CO3,SO4

- Mn,Fe(II),Fe(III),Co,Ni//Cl,O,OH

- La,Ce,Nd//F,Cl

- Al(tetra),Al(penta),Al2[6+],Zn,Pb//Cl

- Th,U(III),U(IV),Pu(III),Pu(IV),Cr(II),Cr(III),Ni(II),Mo(V)//F

 

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been assumed ideal or have been approximated.

 

For the approved sub-systems of components for which data have been evaluated and optimized, scan up to see the descriptions of FTsalt-SALTA, SALTB, …, SALTJ.

 

SPECIAL MEASURES MUST BE TAKEN IF YOU USE FTsalt-SALT?

These measures are a result of the two-sublattice-model used for this solution.

 

IF YOU DO NOT TAKE THESE MEASURES, THE CALCULATIONS MAY BE COMPLETELY ERRONEOUS!!

 

Right click on FTsalt-SALT? and then go through the list of components to make sure that the selected components (those marked with a +) constitute a complete set of cation/anion pairs. For example, suppose that the selected components contain cations A, B and C and anions X, Y and Z. There must then be exactly 9 selected components of all possible pairs: AX, AY, AZ, BX, BY, BZ, CX, CY, CZ. If this is not the case, you will have to de-select certain components (click on the + to remove it) until this criterion is satisfied.

 

If AlCl3 is present do NOT use FTsalt-SALT?. Use FTsalt-SALTC or FTsalt-SALTI.

 

Possible miscibility gaps in reciprocal systems (systems with 2 or more cations and 2 or more anions.) Use I option.

 

References: 3002, 3003, 3004, 3005, 3006, 3007, 3008, 3009, 3010, 3011, 3013, 3014, 3015, 3016, 3017, 3018, 3019, 3027, 3036, 3038, 3039

 

 

[FTsalt-B1]      Rocksalt

ROCKSALT SOLID SOLUTION

(Rocksalt Strukturbericht : FCC_B1; Pearson : cF8; Space group : Fm-3m (225); prototype : NaCl)

 

(Li,Na,K,Rb,Cs,Cu(I),Ag,Mg,Ca,Sr,Ba,Mn,Fe(II),Co,Ni,Cu(II),Zn,Fe(III),Al,Va){H[-], F,Cl,Br,I,C2[2-],O,OH,NO3}

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the cationic sublattice, related to the solubility of salts with a divalent or trivalent cation.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

This Rocksalt-FCC-B1 solid solution was previously divided into many differently named solution models without common intersolubility. This new solid solution includes the hydrides, fluorides, chlorides, bromides, iodides, acetylides, hydroxides and nitrates (with several oxides) of Li, Na, K, Rb, Cs, with solubilities of Mg, Ca, Sr and Ba. Minor solubility of the transition metals and Ag have also been added. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-B2]      CsCl

A SOLID SOLUTION WITH THE CsCl(s1) STRUCTURE

(CsCl Strukturbericht : BCC_B2; Pearson : cP2; Space group : Pm-3m (221); prototype : CsCl)

 

(Li,Na,K,Rb,Cs,Cu(I),Ag,NH4){H[-],F,Cl,Br,I,OH}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

This CsCl-BCC-B2 solid solution was previously divided into several differently named solution models without common intersolubility. This new solid solution includes in particular the hydrides, fluorides, chlorides, bromides, iodides and hydroxides of Li, Na, K, Rb and Cs.

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-B3]      Sphalerite

SPHALERITE SOLID SOLUTION

(Sphalerite Strukturbericht : B3; Pearson : cF8; Space group : F-43m (216); prototype : ZnS)

 

(Li,Na,K,Cu(I),Ag,Mg,Ca,Sr,Ba,Mn,Fe(II),Co,Ni,Cu(II),Zn,Fe(III),Va){Va,F,Cl,S[2-], C2[2-],O,OH}

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the cationic sublattice or on the anionic sublattice.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

This ZnS-B3 solid solution was previously divided into several differently named solution models without common intersolubility. This new solid solution includes in particular the fluorides, chlorides, sulfides, acetylides, oxides and hydroxides of Cu(I) and Zn.

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-B4]      Wurtzite

WURTZITE SOLID SOLUTION

(Wurtzite Strukturbericht : B4; Pearson : hP4; Space group : P63mc (186); prototype : ZnS-W)

 

(Ag,Be,Cd,Mn,Zn){I,O,S[2-]}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the iodides, oxides and sulfides of Ag, Be, Cd, Mn and Zn. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-B10]      Litharge

LITHARGE SOLID SOLUTION

(Litharge Strukturbericht : B10; Pearson : tP4; Space group : P4/nmm (129); prototype : alpha-PbO)

 

(Li,Pb,Sn){O,OH}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the oxides and hydroxides of Li, Pb and Sn. All binary sub-systems have been approximated.

 

 

[FTsalt-C1]      Fluorite

FLUORITE SOLID SOLUTION

(Fluorite Strukturbericht : FCC_C1; Pearson : cF12; Space group : Fm-3m (225); prototype : CaF2)

 

(Mg,Ca,Sr,Ba){F,Cl,H[-],O,Va}2

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the anionic sublattice, related to the solubility of oxides.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the fluorides, chlorides, hydrides and oxides of Mg, Ca, Sr and Ba. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-dC1]      Distorted_Fluorite

A DISTORTED FLUORITE SOLID SOLUTION

(Distorted_Fluorite Strukturbericht : FCC_C1; Pearson : cF12; Space group : Fm-3m (225); prototype : CaF2)

 

(Mg,Ca,Sr,Ba){F,Cl,H[-],O,Va}2

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the anionic sublattice, related to the solubility of oxides.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the fluorides, chlorides, hydrides and oxides of Mg, Ca, Sr and Ba. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-aC1]      Antifluorite

AN ANTIFLUORITE SOLID SOLUTION

(Antifluorite Strukturbericht : FCC_C1; Pearson : cF12; Space group : Fm-3m (225); prototype : Li2O)

 

(Li,Na,K,Rb,Cs,Ag,Cu(I),Ca,Va)2{O,S[2-],C2[2-]}

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the cationic sublattice, related to the solubility of Ca components.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the oxides, sulfides and acetylides of Li, Na, K, Rb, Cs, Ag, Cu(I) and Ca. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-C2]      Pyrite

PYRITE SOLID SOLUTION

(Pyrite Strukturbericht : C2; Pearson : cP12; Space group : Pa-3 (205); prototype : FeS2)

 

FeS2-NiS2-CuS2-CoS2-MnS2.

 

This solid solution contains the disulfides of Fe(II), Ni, Cu(II), Co and Mn. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-C3]      Cuprite

Ag2O-Cu2O SOLID SOLUTION

(Cuprite Strukturbericht : C3; Pearson : cP6; Space group : Pn-3m (224); prototype : Ag2O)

 

Ag2O-Cu2O.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the oxides of Ag and Cu(I).

 

 

[FTsalt-C4]      Rutile

A RUTILE SOLID SOLUTION

(Rutile Strukturbericht : C4; Pearson : tP6; Space group : P42/mnm (136); prototype : TiO2)

 

[Al,Ba,Ca,Co(II),Co(III),Cr(II),Cr(III),Cu(II),Fe(II),Fe(III),Li,Mg,Mn(II),Mn(III),Mn(IV),Nb(III),Nb(IV),Ni,Sr,Ta,Ti(II),Ti(III),Ti(IV),V(II),V(III),V(IV),Zn,Zr]{F,Cl,O,Va}2

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the anionic sublattice.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

This solid solution contains the fluorides, chlorides and oxides of Al, Ba, Ca, Co(II), Co(III), Cr(II), Cr(III), Cu(II), Fe(II), Fe(III), Li, Mg, Mn(II), Mn(III), Mn(IV), Nb(III), Nb(IV), Ni, Sr, Ta, Ti(II), Ti(III), Ti(IV), V(II), V(III), V(IV), Zn and Zr. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-C5]      Anatase

SnO2-TiO2 SOLID SOLUTION

(Anatase Strukturbericht : C5; Pearson : tI12; Space group : I41/amd (141); prototype : TiO2)

 

SnO2-TiO2.

 

This solid solution contains the oxides of Sn(IV) and Ti(IV), and it has been assumed ideal.

 

 

[FTsalt-C6]      CdI2

A SOLID SOLUTION WITH THE CdI2 STRUCTURE

(CdI2 Strukturbericht : C6; Pearson : hP3; Space group : P-3m1 (164); prototype : CdI2)

 

(Ca,Cd,Co,Cr(II),Fe(II),Mg,Mn,Nb(II),Ni,Pb,Ti(II),V(II)){Cl,Br,I,OH}2

 

There are one cationic sublattice and one anionic sublattice.

 

This solid solution contains the chlorides, bromides, iodides and hydroxides of Ca, Cd, Co, Cr(II), Fe(II), Mg, Mn, Nb(II), Ni, Pb, Ti(II) and V(II). Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-C7]      MS2

A SOLID SOLUTION WITH THE MoS2 STRUCTURE

(MS2 Strukturbericht : C7; Pearson : hP6; Space group : P63/mmc (194); prototype : MoS2)

 

MoS2-TaS2-WS2.

 

This solid solution contains the sulfides of Mo(IV), Ta(IV) and W(IV). All binary sub-systems have been assumed ideal.

 

 

[FTsalt-C21]      Brookite

TeO2-TiO2 SOLID SOLUTION

(Brookite Strukturbericht : C21; Pearson : oP24; Space group : Pbca (61); prototype : TiO2)

 

TeO2-TiO2.

 

This solid solution contains the oxides of Te(IV) and Ti(IV).

 

 

[FTsalt-C23]      Cotunnite

A COTUNNITE SOLID SOLUTION

(Cotunnite Strukturbericht : C23; Pearson : oP12; Space group : Pnma (62); prototype : PbCl2)

 

(Mg,Ca,Sr,Ba,Fe(II),Ni,Co,Mn,Pb,Hg(II)){F,Cl,H[-],O,Va}2

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the anionic sublattice, related to the solubility of oxides.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the fluorides, chlorides, hydrides and oxides of Mg, Ca, Sr, Ba, Fe(II), Ni, Co, Mn, Pb and Hg(II). Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-C35]      Hydrophilite

AN HYDROPHILITE SOLID SOLUTION MCl2

(Hydrophilite Strukturbericht : C35; Pearson : oP6; Space group : Pnnm (58); prototype : CaCl2)

 

BaCl2-CaCl2-CrCl2-MgCl2-NbCl2-SrCl2-TiCl2-VCl2.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chlorides of Ba, Ca, Cr(II), Mg, Nb(II), Sr, Ti(II) and V(II). Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-D04]      CrCl3

CrCl3-CrI3 SOLID SOLUTION

(CrCl3 Strukturbericht : D04; Pearson : hP24; Space group : P3112 (151); prototype : CrCl3)

 

CrCl3-CrI3.

 

This solid solution contains the chloride and iodide of Cr(III), and it has been assumed ideal.

 

 

[FTsalt-D05]      BiI3

A SOLID SOLUTION WITH THE BiI3 STRUCTURE

(BiI3 Strukturbericht : D05; Pearson : hR8; Space group : R-3 (148); prototype : BiI3)

 

(Bi(III),Cr(III),Fe(III),Ti(III),V(III)){Cl,Br,I}3

 

There are one cationic sublattice and one anionic sublattice.

 

This solid solution contains the chlorides, bromides and iodides of Bi(III), Cr(III), Fe(III), Ti(III) and V(III). All binary sub-systems have been assumed ideal.

 

 

[FTsalt-D09]      ReO3

A SOLID SOLUTION MF3

(ReO3 Strukturbericht : D09; Pearson : cP4; Space group : Pm-3m (221); prototype : ReO3)

 

AlF3-FeF3-ScF3.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the fluorides of Al, Fe(III) and Sc. Only the AlF3-FeF3 binary sub-system has been evaluated and optimized. The two other binary sub-systems have been assumed ideal.

 

 

[FTsalt-D011]      orthorhombic-REF3

AN ORTHORHOMBIC-REF3 SOLID SOLUTION

(orthorhombic-REF3 Strukturbericht : D011; Pearson : oP16; Space group : Pnma (62); prototype : Fe3C)

 

(Sc,Y,La,Ce,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Eu,Ca,Sr,Ba,U(III),Pu(III),Al,Fe(II),Fe(III),Mn(II),Mn(III)){F,Va}{F}2

 

There are one cationic sublattice and two anionic sublattices. Va is a neutral vacancy on one anionic sublattice, related to the solubility of salts with a divalent cation.

 

This solid solution contains the fluorides of Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Eu, Ca, Sr, Ba, U(III), Pu(III), Al, Fe(II), Fe(III), Mn(II) and Mn(III). All binary sub-systems have been assumed ideal.

 

 

[FTsalt-D012]      alpha-FeF3

AN ALPHA-FeF3 SOLID SOLUTION

(alpha-FeF3 Strukturbericht : D012; Pearson : hR24; Space group : R-3c (167); prototype: FeF3)

 

(Al,Co(III),Cr(III),Fe(III),Ga,In,Ti(III),V(III)){F,H[-]}3

 

Important : Possible miscibility gaps. Use I option.

 

There are one cationic sublattice and one anionic sublattice.

 

This solid solution contains the fluorides and hydrides of Al, Co(III), Cr(III), Fe(III), Ga, In, Ti(III) and V(III). Only the AlF3-FeF3 binary sub-system has been evaluated and optimized. All other binary sub-systems have been assumed ideal.

 

 

[FTsalt-D015]      AlCl3

AN AlCl3 SOLID SOLUTION

(AlCl3 Strukturbericht : D015; Pearson : mC16; Space group : C2/m (12); prototype : AlCl3)

 

AlCl3-CrCl3-InCl3.

 

This solid solution contains the chlorides of Al, Cr(III) and In. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-D018]      Na3As

A SOLID SOLUTION MF3

(Na3As Strukturbericht : D018; Pearson : hP8; Space group : P63/mmc (194); prototype : Na3As)

 

NpF3-PuF3-UF3.

 

This solid solution contains the fluorides of Np(III), Pu(III) and U(III). All binary sub-systems have been assumed ideal.

 

 

[FTsalt-D021]      Cu3P

A SOLID SOLUTION MF3

(Cu3P Strukturbericht : D021; Pearson : hP24; Space group : P63cm (185); prototype : Cu3P)

 

NpF3-PuF3-UF3.

 

This solid solution contains the fluorides of Np(III), Pu(III) and U(III). All binary sub-systems have been assumed ideal.

 

 

[FTsalt-D31]      Hg2Cl2

A Hg2Cl2 SOLID SOLUTION

(Hg2Cl2 Strukturbericht : D31; Pearson : tI8; Space group : I4/mmm (139); prototype : Hg2Cl2)

 

Hg2F2-Hg2Cl2-Hg2Br2-Hg2I2.

 

This solid solution contains the fluoride, the chloride, the bromide and the iodide of Hg2[2+]. All binary sub-systems have been approximated.

 

 

[FTsalt-E21_A]      Acubic-Perovskite

A CUBIC SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(cubic-Perovskite Strukturbericht : E21; Pearson : cP5; Space group : Pm-3m (221); prototype : CaTiO3)

 

Approved optimized sub-system of FTsalt-E21_.

 

(Li,Na,K)[Mg,Ca,Mn,Fe(II),Co,Ni]Cl3

 

Solid perovskite solution of LiMgCl3, LiCaCl3,....., NaMgCl3,....., KMgCl3,...................etc. with Li, Na and K on one cationic sublattice, and Mg, Ca, Mn, Fe(II), Co and Ni on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-E21_A does not contain Rb, Cs, Sr or Ba as cations and so the calculated contents of these will always be zero if you use FTsalt-E21_A. If Rb, Cs, Sr or Ba are expected to be present in appreciable amounts, use FTsalt-E21_B.

 

 

[FTsalt-E21_B]      Bcubic-Perovskite

A CUBIC SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(cubic-Perovskite Strukturbericht : E21; Pearson : cP5; Space group : Pm-3m (221); prototype : CaTiO3)

 

Approved optimized sub-system of FTsalt-E21_.

 

(Li,Na,K,Rb,Cs)[Mg,Ca,Sr,Ba]Cl3

 

Solid perovskite solution of LiMgCl3, LiCaCl3,......, NaMgCl3,......, KMgCl3,......, RbMgCl3,......, CsMgCl3,...................etc. with Li, Na, K, Rb and Cs on one cationic sublattice, and Mg, Ca, Sr and Ba on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-E21_B does not contain Mn, Fe(II), Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-E21_B. If Mn, Fe(II), Co or Ni are expected to be present in appreciable amounts, use FTsalt-E21_A. 

 

 

[FTsalt-E21_C]      Ccubic-Perovskite

A CUBIC SOLID CHLORO-FLUORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(cubic-Perovskite Strukturbericht : E21; Pearson : cP5; Space group : Pm-3m (221); prototype : CaTiO3)

 

Approved optimized sub-system of FTsalt-E21_.

 

(Li,Na,K)[Mg,Ca,Sr,Ba]{F,Cl}3

 

Solid perovskite solution of LiMgF3, LiMgCl3, LiCaF3,......, NaMgF3, NaMgCl3,......, KMgF3,...................etc. with Li, Na and K on one cationic sublattice, Mg, Ca, Sr and Ba on the other cationic sublattice, and F and Cl on the anionic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-E21_C does not contain Rb, Cs, Mn, Fe(II), Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-E21_C. If fluoride is not present, use FTsalt-E21_A or FTsalt-E21_B.

 

 

[FTsalt-E21_?]      ?cubic-Perovskite

 

NEVER USE FTsalt-E21_?

 

Because of the use of a 3-sublattice model for this phase, completely erroneous calculations may result for certain combinations of components.

 

 

[FTsalt-oP20A]      Aortho-Perovskite

AN ORTHORHOMBIC SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(ortho-Perovskite Pearson : oP20; Space group : Pbnm/Pnma (62); prototype : GdFeO3)

 

Approved optimized sub-system of FTsalt-oP20.

 

(Li,Na,K)[Mg,Ca,Mn,Fe(II),Co,Ni]Cl3

 

Solid perovskite solution of LiMgCl3, LiCaCl3,....., NaMgCl3,....., KMgCl3,...................etc. with Li, Na and K on one cationic sublattice, and Mg, Ca, Mn, Fe(II), Co and Ni on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-oP20A does not contain Rb, Cs, Sr or Ba as cations and so the calculated contents of these will always be zero if you use FTsalt-oP20A. If Rb, Cs, Sr or Ba are expected to be present in appreciable amounts, use FTsalt-oP20B.

 

 

[FTsalt-oP20B]      Bortho-Perovskite

AN ORTHORHOMBIC SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(ortho-Perovskite Pearson : oP20; Space group : Pbnm/Pnma (62); prototype : GdFeO3)

 

Approved optimized sub-system of FTsalt-oP20.

 

(Li,Na,K,Rb,Cs)[Mg,Ca,Sr,Ba]Cl3

 

Solid perovskite solution of LiMgCl3, LiCaCl3,......, NaMgCl3,......, KMgCl3,......, RbMgCl3,......, CsMgCl3,...................etc. with Li, Na, K, Rb and Cs on one cationic sublattice, and Mg, Ca, Sr and Ba on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-oP20B does not contain Mn, Fe(II), Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-oP20B. If Mn, Fe(II), Co or Ni are expected to be present in appreciable amounts, use FTsalt-oP20A. 

 

 

[FTsalt-oP20C]      Cortho-Perovskite

AN ORTHORHOMBIC SOLID CHLORO-FLUORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(ortho-Perovskite Pearson : oP20; Space group : Pbnm/Pnma (62); prototype : GdFeO3)

 

Approved optimized sub-system of FTsalt-oP20.

 

(Li,Na,K)[Mg,Ca,Sr,Ba]{F,Cl}3

 

Solid perovskite solution of LiMgF3, LiMgCl3, LiCaF3,......, NaMgF3, NaMgCl3,......, KMgF3,...................etc. with Li, Na and K on one cationic sublattice, Mg, Ca, Sr and Ba on the other cationic sublattice, and F and Cl on the anionic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-oP20C does not contain Rb, Cs, Mn, Fe(II), Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-oP20C. If fluoride is not present, use FTsalt-oP20A or FTsalt-oP20B.

 

 

[FTsalt-oP20?]      ?ortho-Perovskite

 

NEVER USE FTsalt-oP20?

 

Because of the use of a 3-sublattice model for this phase, completely erroneous calculations may result for certain combinations of components.

 

 

[FTsalt-hR30]      Ilmenite

A NaMgCl3 SOLID SOLUTION

(Ilmenite Pearson : hR30; Space group : R-3 (148); prototype : FeTiO3)

 

(Li,Na,K)[Mg,Mn,Fe(II),Co,Ni]Cl3

 

NaMgCl3 solid solution dissolving NaMnCl3,……,LiMgCl3, LiMnCl3,....., KMgCl3, KMnCl3,...................etc. with Li, Na and K on one cationic sublattice, and Mg, Mn, Fe(II), Co and Ni on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

 

[FTsalt-hP30A]      Ahexa-Perovskite

AN HEXAGONAL SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(hexa-Perovskite Pearson : hP30; Space group : P63/mmc (194); prototype : BaTiO3-6H)

 

Approved optimized sub-system of FTsalt-hP30.

 

(Li,Na,K)[Mg,Ca,Mn,Fe(II),Co,Ni]Cl3

 

Solid perovskite solution of LiMgCl3, LiCaCl3,....., NaMgCl3,....., KMgCl3,...................etc. with Li, Na and K on one cationic sublattice, and Mg, Ca, Mn, Fe(II), Co and Ni on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-hP30A does not contain Rb, Cs, Sr or Ba as cations and so the calculated contents of these will always be zero if you use FTsalt-hP30A. If Rb, Cs, Sr or Ba are expected to be present in appreciable amounts, use FTsalt-hP30B.

 

 

[FTsalt-hP30B]      Bhexa-Perovskite

AN HEXAGONAL SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(hexa-Perovskite Pearson : hP30; Space group : P63/mmc (194); prototype : BaTiO3-6H)

 

Approved optimized sub-system of FTsalt-hP30.

 

(Li,Na,K,Rb,Cs)[Mg,Ca,Sr,Ba]Cl3

 

Solid perovskite solution of LiMgCl3, LiCaCl3,......, NaMgCl3,......, KMgCl3,......, RbMgCl3,......, CsMgCl3,...................etc. with Li, Na, K, Rb and Cs on one cationic sublattice, and Mg, Ca, Sr and Ba on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

FTsalt-hP30B does not contain Mn, Fe(II), Co or Ni as cations and so the calculated contents of these will always be zero if you use FTsalt-hP30B. If Mn, Fe(II), Co or Ni are expected to be present in appreciable amounts, use FTsalt-hP30A. 

 

 

[FTsalt-hP30?]      ?hexa-Perovskite

GENERAL HEXAGONAL SOLID CHLORIDE SOLUTION WITH PEROVSKITE STRUCTURE

(hexa-Perovskite Pearson : hP30; Space group : P63/mmc (194); prototype : BaTiO3-6H)

 

The components that can be used for the calculations are :

(Li,Na,K,Rb,Cs)[Mg,Ca,Sr,Ba,Mn,Fe(II),Co,Ni]Cl3

 

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

For the approved sub-systems of components for which data have been evaluated and optimized, scan up to see the descriptions of FTsalt-hP30A and FTsalt-hP30B.

 

SPECIAL MEASURES MUST BE TAKEN IF YOU USE FTsalt-hP30?

These measures are a result of the two-sublattice-model used for this solution.

 

IF YOU DO NOT TAKE THESE MEASURES, THE CALCULATIONS MAY BE COMPLETELY ERRONEOUS!!

 

Right click on FTsalt-hP30? and then go through the list of components to make sure that the selected components (those marked with a +) constitute a complete set of alkali cation/divalent cation pairs. For example, suppose that the selected components contain cations A, B and C on one cationic sublattice, and cations X, Y and Z on the other cationic sublattice. There must then be exactly 9 selected components of all possible pairs: AXCl3, AYCl3, AZCl3, BXCl3, BYCl3, BZCl3, CXCl3, CYCl3, CZCl3. If this is not the case, you will have to de-select certain components (click on the + to remove it) until this criterion is satisfied.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

 

[FTsalt-R-3m]      CdCl2

A SOLID SOLUTION WITH THE CdCl2 STRUCTURE

(CdCl2 Pearson : hR9; Space group : R-3m (166); prototype : CdCl2)

 

(Ba,Ca,Cd,Co,Cr(II),Fe(II),Li,Mg,Mn,Ni,Pb,Sr,Ti(II),V(II),Zn){Cl,Br,I,Va,OH}2

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the anionic sublattice, related to the solubility of Li salts.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chlorides, bromides, iodides and hydroxides of  Ba, Ca, Cd, Co, Cr(II), Fe(II), Li, Mg, Mn, Ni, Pb, Sr, Ti(II), V(II) and Zn. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[Ftsalt-tI14A]      AK2NiF4

A SOLID CHLORIDE SOLUTION A2MgCl4

(K2NiF4 Pearson : tI14; Space group : I4/mmm (139); prototype : K2NiF4)

 

Approved optimized sub-system of FTsalt-tI14.

 

(Li,Na,K,Rb,Cs)2MgCl4

 

Solid solution of Li2MgCl4, Na2MgCl4, K2MgCl4, Rb2MgCl4 and Cs2MgCl4.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

FTsalt-tI14A does not contain fluorides and so the calculated contents of these will always be zero if you use FTsalt-tI14A. If fluorides are expected to be present in appreciable amounts, use FTsalt-tI14B.

 

 

[FTsalt-tI14B]      BK2NiF4

A SOLID FLUORIDE/CHLORIDE SOLUTION A2MgX4

(K2NiF4 Pearson : tI14; Space group : I4/mmm (139); prototype : K2NiF4)

 

Approved optimized sub-system of FTsalt-tI14.

 

(Li,Na,K)2Mg{F,Cl}4

 

Solid solution of Li2MgF4, Li2MgCl4, Na2MgF4, Na2MgCl4, K2MgF4 and K2MgCl4 with Li, Na and K on one cationic sublattice, Mg on the other cationic sublattice, and F and Cl on the anionic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

FTsalt-tI14B does not contain Rb or Cs as cations and so the calculated contents of these will always be zero if you use FTsalt-tI14B. If Rb or Cs are expected to be present in appreciable amounts, use FTsalt-tI14A.

 

 

[FTsalt-tI14?]      ?K2NiF4

GENERAL SOLID FLUORIDE/CHLORIDE SOLUTION A2MgX4

(K2NiF4 Pearson : tI14; Space group : I4/mmm (139); prototype : K2NiF4)

 

The components that can be used for the calculations are :

(Li,Na,K,Rb,Cs)2Mg{F,Cl}4

 

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

For the approved sub-systems of components for which data have been evaluated and optimized, scan up to see the descriptions of FTsalt-tI14A and FTsalt-tI14B.

 

SPECIAL MEASURES MUST BE TAKEN IF YOU USE FTsalt-tI14?

These measures are a result of the two-sublattice-model used for this solution.

 

IF YOU DO NOT TAKE THESE MEASURES, THE CALCULATIONS MAY BE COMPLETELY ERRONEOUS!!

 

Right click on FTsalt-tI14? and then go through the list of components to make sure that the selected components (those marked with a +) constitute a complete set of cation/anion pairs. For example, suppose that the selected components contain cations A, B and C, and anions F and Cl. There must then be exactly 6 selected components of all possible pairs: A2MgF4, A2MgCl4, B2MgF4, B2MgCl4, C2MgF4, C2MgCl4. If this is not the case, you will have to de-select certain components (click on the + to remove it) until this criterion is satisfied.

 

Possible miscibility gaps. Use I option.

 

 

[Ftsalt-oC14]      Mn2SnS4

A SOLID CHLORIDE SOLUTION Li2MCl4

(Mn2SnS4 Pearson : oC14; Space group : Cmmm (65); prototype : Mn2SnS4)

 

Li2(Co,Fe(II),Mg,Mn,Ni)Cl4

 

Solid solution of Li2CoCl4, Li2FeCl4(lt), Li2MgCl4, Li2MnCl4 and Li2NiCl4.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[Ftsalt-H11a]      Al2MgO4

A SOLID CHLORIDE SOLUTION Li2MCl4

(Al2MgO4 Strukturbericht : H11; Pearson : cF56; Space group : Fd-3m (227); prototype : MgAl2O4)

 

Li2(Co,Fe(II),Mg,Mn,Ni)Cl4

 

Solid solution of Li2CoCl4, Li2FeCl4(ht), Li2MgCl4, Li2MnCl4 and Li2NiCl4.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[Ftsalt-cI28A]      ATh3P4

A SOLID CHLORIDE SOLUTION A2MCl4

(Th3P4 Pearson : cI28; Space group : I-43d (220); prototype : Th3P4)

 

Approved optimized sub-system of FTsalt-cI28.

 

(K,Rb,Cs)2[Ca,Sr,Ba]Cl4

 

Solid solution of K2CaCl4, Rb2CaCl4,......, K2SrCl4,......, Cs2SrCl4,......, Cs2BaCl4 with K, Rb and Cs on one cationic sublattice, and Ca, Sr and Ba on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[FTsalt-cI28?]      ?Th3P4

GENERAL SOLID CHLORIDE SOLUTION A2MCl4

(Th3P4 Pearson : cI28; Space group : I-43d (220); prototype : Th3P4)

 

The components that can be used for the calculations are :

(K,Rb,Cs)2[Ca,Sr,Ba,Pb]Cl4

 

Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

For the approved sub-systems of components for which data have been evaluated and optimized, scan up to see the description of FTsalt-cI28A.

 

SPECIAL MEASURES MUST BE TAKEN IF YOU USE FTsalt-cI28?

These measures are a result of the two-sublattice-model used for this solution.

 

IF YOU DO NOT TAKE THESE MEASURES, THE CALCULATIONS MAY BE COMPLETELY ERRONEOUS!!

 

Right click on FTsalt-cI28? and then go through the list of components to make sure that the selected components (those marked with a +) constitute a complete set of alkali cation/divalent cation pairs. For example, suppose that the selected components contain cations K, Rb and Cs on one cationic sublattice, and cations A, B and C on the other cationic sublattice. There must then be exactly 9 selected components of all possible pairs: K2ACl4, K2BCl4, K2CCl4, Rb2ACl4, Rb2BCl4, Rb2CCl4, Cs2ACl4, Cs2BCl4, Cs2CCl4. If this is not the case, you will have to de-select certain components (click on the + to remove it) until this criterion is satisfied.

 

Possible miscibility gaps. Use I option.

 

 

[FTsalt-oP14]      Sr2PbO4

A SOLID CHLORIDE SOLUTION A2MCl4

(Sr2PbO4 Pearson : oP14; Space group : Pbam (55); prototype : Sr2PbO4)

 

(Li,Na,K)2[Co,Fe(II),Mg,Mn,Ni]Cl4

 

Solid solution of Li2CoCl4, Li2FeCl4,......, Na2MgCl4,......, Na2NiCl4,......, K2MgCl4,......, K2NiCl4 with Li, Na, and K on one cationic sublattice, and Co, Fe(II), Mg, Mn and Ni on the other cationic sublattice.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[FTsalt-oP28A]      Abeta-K2SO4

A SOLID CHLORIDE SOLUTION A2MCl4

(beta-K2SO4 Pearson : oP28; Space group : Pnma (62); prototype : K2SO4)

 

Approved optimized sub-system of FTsalt-oP28.

 

(Na,K)2[MgCl4,CoCl4]

 

Solid solution of Na2MgCl4, Na2CoCl4, K2MgCl4 and K2CoCl4.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[FTsalt-oP28B]      Bbeta-K2SO4

A SOLID CHLORIDE SOLUTION A2MgCl4

(beta-K2SO4 Pearson : oP28; Space group : Pnma (62); prototype : K2SO4)

 

Approved optimized sub-system of FTsalt-oP28.

 

(Na,K,Cs)2MgCl4

 

Solid solution of Na2MgCl4, K2MgCl4 and Cs2MgCl4.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[FTsalt-oP28C]      Cbeta-K2SO4

A SOLID CHLORIDE SOLUTION A2MCl4

(beta-K2SO4 Pearson : oP28; Space group : Pnma (62); prototype : K2SO4)

 

Approved optimized sub-system of FTsalt-oP28.

 

(Na,K)2[MgCl4,ZnCl4]

 

Solid solution of Na2MgCl4, K2MgCl4, Na2ZnCl4 and K2ZnCl4(ht).

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[FTsalt-oP28D]      Dbeta-K2SO4

A SOLID SULFATE/CARBONATE SOLUTION

(beta-K2SO4 Pearson : oP28; Space group : Pnma (62); prototype : K2SO4)

 

Approved optimized sub-system of FTsalt-oP28.

 

(Na,K)2[SO4,CO3]

 

Solid solution of Na2SO4, K2SO4, Na2CO3 and K2CO3.

 

Optimized over the entire composition range.

 

Important : Possible miscibility gaps. Use I option.

 

 

[FTsalt-oP28?]      ?beta-K2SO4

GENERAL SOLID SOLUTION WITH THE beta-K2SO4 STRUCTURE

(beta-K2SO4 Pearson : oP28; Space group : Pnma (62); prototype : K2SO4)

 

The components that can be used for the calculations are :

(Na,K,Cs)2[MgCl4,CoCl4,ZnCl4,SO4,CO3,CrO4]

 

Solid solution of Na2MgCl4, K2MgCl4,......, Na2SO4,......, Na2CO3,......, Cs2CrO4 with Na, K and Cs on the cationic sublattice, and MgCl4, CoCl4, ZnCl4, SO4, CO3, and CrO4 on the anionic sublattice. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

For the approved sub-systems of components for which data have been evaluated and optimized, scan up to see the descriptions of FTsalt-oP28A, …, oP28D.

 

SPECIAL MEASURES MUST BE TAKEN IF YOU USE FTsalt-oP28?

These measures are a result of the two-sublattice-model used for this solution.

 

IF YOU DO NOT TAKE THESE MEASURES, THE CALCULATIONS MAY BE COMPLETELY ERRONEOUS!!

 

Right click on FTsalt-oP28? and then go through the list of components to make sure that the selected components (those marked with a +) constitute a complete set of cation/anion pairs. For example, suppose that the selected components contain cations Na, K and Cs and anions X, Y and Z. There must then be exactly 9 selected components of all possible pairs: Na2X, Na2Y, Na2Z, K2X, K2Y, K2Z, Cs2X, Cs2Y, Cs2Z. If this is not the case, you will have to de-select certain components (click on the + to remove it) until this criterion is satisfied.

 

Possible miscibility gaps. Use I option.

 

 

[FTsalt-hP22]      alpha-K2SO4

A SOLID SOLUTION WITH THE alpha-K2SO4 STRUCTURE

(alpha-K2SO4 Pearson : hP22; Space group : P63/mmc (194); prototype : K2SO4)

 

(Li,Na,K,Ag,Va,Ca,Ba,Mg)2{SO4,CO3,S[2-],CrO4}

 

There are one cationic sublattice and one anionic sublattice. Va is a neutral vacancy on the cationic sublattice, related to the solubility of salts with a divalent cation.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the sulfates, carbonates, sulfides and chromates of Li, Na, K, Ag, Ca, Ba and Mg. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-hP14]      Glaserite

GLASERITE SOLID SOLUTION

(Glaserite Pearson : hP14; Space group : P-3m1 (164); prototype : K3Na(SO4)2)

 

(K,Na)3Na{SO4,CrO4}2

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains K3Na(SO4)2, Na3Na(SO4)2, K3Na(CrO4)2 and Na3Na(CrO4)2. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-cI?]      NaLiSO4-ht

NaLiSO4-ht SOLID SOLUTION

(NaLiSO4-ht Pearson : cI?; Space group : unknown; prototype : NaLiSO4-ht)

 

(Li,Na)2SO4

 

This NaLiSO4(ht) solid solution contains Li2SO4 and Na2SO4 as “end-members”.

 

 

[FTsalt-oS24]      Anhydrite

AN ANHYDRITE SOLID SOLUTION

(Anhydrite Pearson : oS24; Space group : Amma (63); prototype : CaSO4)

 

(Mg,Ca,Sr,Ba){CrO4,SO4}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chromates and sulfates of Mg, Ca, Sr and Ba. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-mP24]      CePO4

A SOLID SOLUTION WITH THE CePO4 STRUCTURE

(CePO4 Pearson : mP24; Space group : P21/c (14); prototype : CePO4)

 

(Ca,Sr,Ba){CrO4,SO4}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chromates and sulfates of Ca, Sr and Ba. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-oP24]      Barite

A BARITE SOLID SOLUTION

(Barite Pearson : oP24; Space group : Pnma (62); prototype : alpha-BaSO4)

 

(Ca,Sr,Ba,Na,K){CrO4,SO4,AlCl4,FeCl4}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

This solid solution contains the chromates, sulfates, tetrachloroaluminates and tetrachloroferrates of Ca, Sr, Ba, Na and K. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-tI24]      ZrSiO4

A SOLID SOLUTION WITH THE ZrSiO4 STRUCTURE

(ZrSiO4 Pearson : tI24; Space group : I41/amd (141); prototype : ZrSiO4)

 

(Ca,Sr,Ba,Zr){CrO4,SO4,SiO4[4-]}

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chromates, sulfates and orthosilicates of Ca, Sr, Ba and Zr. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-mS44]      CoAl2Cl8

A CoAl2Cl8 SOLID SOLUTION

(CoAl2Cl8 Pearson : mS44; Space group : C2/c (15); prototype : CoAl2Cl8)

 

(Co,Cr(II),Fe(II),Mg,Mn,Ni,Ti(II))Al2Cl8

 

This solid solution contains CoAl2Cl8, CrAl2Cl8, FeAl2Cl8, MgAl2Cl8, MnAl2Cl8, NiAl2Cl8 and TiAl2Cl8. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-oP44]      CrAl2Cl8

A CrAl2Cl8 SOLID SOLUTION

(CrAl2Cl8 Pearson : oP44; Space group : Pca21 (29); prototype : CrAl2Cl8)

 

(Co,Cr(II),Fe(II),Mg,Mn,Ni,Ti(II))Al2Cl8

 

This solid solution contains CoAl2Cl8, CrAl2Cl8, FeAl2Cl8, MgAl2Cl8, MnAl2Cl8, NiAl2Cl8 and TiAl2Cl8. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-mP22]      TiAl2Cl8

A TiAl2Cl8 SOLID SOLUTION

(TiAl2Cl8 Pearson : mP22; Space group : P21/c (14); prototype : TiAl2Cl8)

 

(Co,Cr(II),Fe(II),Mg,Mn,Ni,Ti(II))Al2Cl8

 

This solid solution contains CoAl2Cl8, CrAl2Cl8, FeAl2Cl8, MgAl2Cl8, MnAl2Cl8, NiAl2Cl8 and TiAl2Cl8. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-mP2K]      K2CO3

A K2CO3 SOLID SOLUTION

(K2CO3 Pearson : mP24; Space group : P21/c (14); prototype : K2CO3)

 

(K,Na)2{CO3,SO4}

 

There are one cationic sublattice and one anionic sublattice.

 

This solid solution contains the carbonates and sulfates of K and Na.

 

 

[FTsalt-mP2L]      LiAlCl4

A SOLID SOLUTION AMCl4

(LiAlCl4 Pearson : mP24; Space group : P21/c (14); prototype : LiAlCl4)

 

(Li,Na){Al,Fe(III)}Cl4

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains the tetrachloroaluminates and tetrachloroferrates of Li and Na. Not all binary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-oP2F]      NaAlCl4

A SOLID SOLUTION AMCl4

(NaAlCl4 Pearson : oP24; Space group : P212121 (19); prototype : NaAlCl4)

 

(Li,Na,K){Al,Fe(III)}Cl4

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains the tetrachloroaluminates and tetrachloroferrates of Li, Na and K. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-mP2F]      KAlCl4

A SOLID SOLUTION AMCl4

(KAlCl4 Pearson : mP24; Space group : P21 (4); prototype : KAlCl4)

 

(Na,K,Rb){Al,Fe(III)}Cl4

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains the tetrachloroaluminates and tetrachloroferrates of Na, K and Rb. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-tP6]      PbFCl

A SOLID SOLUTION MFCl

(PbFCl Pearson : tP6; Space group : P4/nmm (129); prototype : PbFCl)

 

(Ca,Sr,Ba,Pb)FCl

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chlorofluorides of Ca, Sr, Ba and Pb. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-mP32]      AlkM2Cl5

A SOLID SOLUTION AlkM2Cl5

(AlkM2Cl5 Pearson : mP32; Space group : P21/c (14); prototype : U2PbSe5)

 

(K,Rb){Sr,Ba,Pb}2Cl5

 

There are two cationic sublattices and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains KSr2Cl5, RbSr2Cl5, KBa2Cl5, RbBa2Cl5, KPb2Cl5 and RbPb2Cl5. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-cF60]      Mg6MnO8

A SOLID SOLUTION A6MCl8

(Mg6MnO8 Pearson : cF60; Space group : Fm-3m (225); prototype : Mg6MnO8)

 

(Li,Na,K)6[Fe(II),Mg,Mn,Ni]Cl8

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains Li6FeCl8, Na6FeCl8,…, Li6MnCl8, Na6MnCl8,…, Na6NiCl8 and K6NiCl8. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-tI2F]      Sr3Ti2O7

A SOLID SOLUTION A3M2Cl7

(Sr3Ti2O7 Pearson : tI24; Space group : I4/mmm (139); prototype : Sr3Ti2O7)

 

(Na,K)3[Mg,Mn]2Cl7

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains Na3Mg2Cl7, Na3Mn2Cl7, K3Mg2Cl7 and K3Mn2Cl7. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-oS28]      Na2CrO4

A SULFATE/CHROMATE SOLID SOLUTION

(Na2CrO4 Pearson : oS28; Space group : Cmcm (63); prototype : Na2CrO4)

 

(Na,K)2[CrO4,SO4]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains Na2CrO4, K2CrO4, Na2SO4 and K2SO4. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-oF56]      Na2SO4-V

A SULFATE/CHROMATE SOLID SOLUTION

(Na2SO4-V Pearson : oF56; Space group : Fddd (70); prototype : Na2SO4-V)

 

(Ag,Cu(I),Na,K)2[CrO4,SO4]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the chromates and sulfates of Ag, Cu(I), Na and K. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-mS24]      gamma-Na2CO3

Na2CO3-K2CO3 SOLID SOLUTION

(gamma-Na2CO3 Pearson : mS24; Space group : C2/m (12); prototype : gamma-Na2CO3-A)

 

(Na,K)2CO3

 

This solid solution contains Na2CO3 and K2CO3.

 

 

[FTsalt-mS2B]      beta-Na2CO3

Na2CO3-K2CO3 SOLID SOLUTION

(beta-Na2CO3 Pearson : mS24; Space group : C2/m (12); prototype : beta-Na2CO3-B)

 

(Na,K)2CO3

 

This solid solution contains Na2CO3 and K2CO3.

 

 

[FTsalt-hR12]      NaFeO2

A SOLID SOLUTION AMO2

(NaFeO2 Pearson : hR12; Space group : R-3m (166); prototype : NaFeO2)

 

(Na,K)[Al,Co(III),Cr(III),Fe(III),Mn(III),Ni(III),Ti(III),V(III)]O2

 

There are two cationic sublattices and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains NaAlO2, KAlO2,…, NaMnO2, KMnO2,…, NaVO2 and KVO2. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-hP24]      hexagonal-REF3

A SOLID SOLUTION MF3

(hexagonal-REF3 Pearson : hP24; Space group : P-3c1 (165); prototype : HoH3)

 

(Sc,Y,La,Ce,Pr,Nd,Sm,Eu(III),Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Eu(II),Ca,Sr,Ba,U(III),Pu(III),Al,Fe(II),Fe(III),Mn(II),Mn(III))[F,Va]F2

 

There are one cationic sublattice and two anionic sublattices. Va is a neutral vacancy on one anionic sublattice, related to the solubility of fluorides with a divalent cation.

 

This solid solution contains the fluorides of Sc, Y, La, Ce, Pr, Nd, Sm, Eu(III), Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Eu(II), Ca, Sr, Ba, U(III), Pu(III), Al, Fe(II), Fe(III), Mn(II) and Mn(III). All binary sub-systems have been assumed ideal.

 

 

[FTsalt-G01]      Calcite

A CALCITE SOLID SOLUTION

(Calcite Strukturbericht : G01; Pearson : hR30; Space group : R-3c (167); prototype : CaCO3)

 

(Mg,Ca,Sr,Li,Na,K)[CO3,NO3,I]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the carbonates, nitrates and iodides of Mg, Ca, Sr, Li, Na and K. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-Arag]      Aragonite

AN ARAGONITE SOLID SOLUTION

(Aragonite Pearson : oP20; Space group : Pnma (62); prototype : CaCO3-a)

 

(Ca,Sr,Ba,K,Na)[CO3,NO3]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the carbonates and nitrates of Ca, Sr, Ba, K and Na. All binary sub-systems have been assumed ideal.

 

 

[FTsalt-hR24]      ht-(Na,K)NO3

A SOLID ALKALI SALT SOLUTION AlkX

(ht-(Na,K)NO3 Pearson : hR24; Space group : R-3m (166); prototype : NaNO3)

 

(Na,K,Rb,Cs)[NO3,Br,I]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the nitrates, bromides and iodides of Na, K, Rb and Cs. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-tI32]      alpha-Na2C2

Na2C2-K2C2 SOLID SOLUTION

(alpha-Na2C2 Pearson : tI32; Space group : I41/acd (142); prototype : alpha-Na2C2)

 

(Na,K)2C2

 

This solid solution contains Na2C2 and K2C2, and it has been assumed ideal.

 

 

[FTsalt-hP45]      RbNO3-IV

AN ALKALI NITRATE/HYDROXIDE SOLID SOLUTION

(RbNO3-IV Pearson : hP45; Space group : P31 (144); prototype : RbNO3-IV)

 

(K,Rb,Cs)[NO3,OH]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the nitrates and hydroxides of K, Rb and Cs. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-mP4]      beta-NaOH

AN ALKALI HYDROXIDE SOLID SOLUTION

(beta-NaOH Pearson : mP4; Space group : P21/m (11); prototype : beta-NaOH)

 

(Na,K,Rb)OH

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains NaOH, KOH and RbOH.

 

 

[FTsalt-cP40]      ht-CsNO3

A SOLID ALKALI SALT SOLUTION AlkX

(ht-CsNO3 Pearson : cP40; Space group : Pa-3 (205); prototype : ht-CsNO3)

 

(K,Rb,Cs)[NO3,OH,Br,Cl]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the nitrates, hydroxides, bromides and chlorides of K, Rb and Cs. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-cFZ]      ht-Li2SO4

AN ALKALI SULFATE/CARBONATE SOLID SOLUTION

(ht-Li2SO4 Pearson : cFZ; Space group : F-43m (216); prototype : alpha-Li2SO4)

 

(Li,Na,K)2[SO4,CO3]

 

There are one cationic sublattice and one anionic sublattice.

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains the sulfates and carbonates of Li, Na and K. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-oS16]      RbLiCl2

RbLiCl2-RbLiBr2 SOLID SOLUTION

(RbLiCl2 Pearson : oS16; Space group : P31 (63); prototype : RbLiCl2)

 

RbLi[Cl,Br]2

 

This solid solution contains RbLiCl2 and RbLiBr2, and it has been assumed ideal.

 

 

[FTsalt-mS32]      CsLiF2

RbLiF2-CsLiF2 SOLID SOLUTION

(CsLiF2 Pearson : mS32; Space group : C2/c (15); prototype : CsLiF2)

 

(Rb,Cs)LiF2

 

This solid solution contains RbLiF2 and CsLiF2, and it has been assumed ideal.

 

 

[FTsalt-mP12]      Li2K(OH)3

Li2K(OH)3-Li2Rb(OH)3 SOLID SOLUTION

(Li2K(OH)3 Pearson : mP12; Space group : P21/m (11); prototype : Li2K(OH)3)

 

Li2(K,Rb)(OH)3

 

This solid solution contains Li2K(OH)3 and Li2Rb(OH)3.

 

 

[FTsalt-cP36]      Pb(NO3)2

A NITRATE SOLID SOLUTION M(NO3)2

(Pb(NO3)2 Pearson : cP36; Space group : Pa-3 (205); prototype : Pb(NO3)2)

 

(Mg,Ca,Sr,Ba,Mn,Fe(II),Co,Ni,Cu(II),Zn,Pb)(NO3)2

 

Important : Possible 2- and 3-phase miscibility gaps. Use J option.

 

This solid solution contains the nitrates of Mg, Ca, Sr, Ba, Mn, Fe(II), Co, Ni, Cu(II), Zn and Pb. Not all binary and ternary sub-systems have been evaluated and optimized. Sub-systems which have not been evaluated and optimized have been approximated.

 

 

[FTsalt-XF4_]      (Th,U,Pu)F4(ss)

AN ACTINIDE FLUORIDE SOLID SOLUTION

 

(Th,U(IV),Pu(IV))(Th,U(IV),Pu(IV))F8

 

There are two cationic sublattices and one anionic sublattice.

 

This solid solution contains ThF4, UF4 and PuF4.

 

 

[FTsalt-AX4F]      Li(Th,U,Pu)4F17(ss)

A LITHIUM ACTINIDE FLUORIDE SOLID SOLUTION

 

Li(U(IV),Th,Pu(IV))4F17

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains LiU4F17, LiTh4F17 and LiPu4F17.

The thermodynamic properties of LiPu4F17 have been estimated.

 

 

[FTsalt-AX2F]      Li(Th,U,Pu)2F9(ss)

A LITHIUM ACTINIDE FLUORIDE SOLID SOLUTION

 

Li(U(IV),Th,Pu(IV))2F9

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains LiU2F9, LiTh2F9 and LiPu2F9.

The thermodynamic properties of LiPu2F9 have been estimated.

 

 

[FTsalt-A7XF]      Li7(Th,U,Pu)6F31(ss)

A LITHIUM ACTINIDE FLUORIDE SOLID SOLUTION

 

Li7(U(IV),Th,Pu(IV))6F31

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains Li7U6F31, Li7Th6F31 and Li7Pu6F31.

The thermodynamic properties of Li7Pu6F31 have been estimated.

 

 

[FTsalt-A3XF]      Li3(Th,U,Pu)F7(ss)

A LITHIUM ACTINIDE FLUORIDE SOLID SOLUTION

 

Li3(U(IV),Th,Pu(IV))F7

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains Li3UF7, Li3ThF7 and Li3PuF7.

The thermodynamic properties of Li3PuF7 have been estimated.

 

 

[FTsalt-oP52]      Li4TbF8

Li4UF8-Li4PuF8 SOLID SOLUTION

 

Li4(U(IV),Pu(IV))F8

 

Important : Possible miscibility gaps. Use I option.

 

This solid solution contains Li4UF8 and Li4PuF8, and it has been assumed ideal.

The thermodynamic properties of Li4PuF8 have been estimated.