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Structure determination of KLaS<sub>2</sub>, KPrS<sub>2</sub>, KEuS<sub>2</sub>, KGdS<sub>2</sub>, KLuS<sub>2</sub>, KYS<sub>2</sub>, RbYS<sub>2</sub>, NaLaS<sub>2</sub>and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series

Jan Fábry,Lubomír Havlák,Michal Dušek,P. Vaněk,Jan Drahokoupil,K. Jurek-2014-03-27-Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
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TL;DRAbstract

One of the purposes of this work is to provide a crystallographic review of group 1 and thallium rare-earth ternary sulfides M(+)Ln(3+)S2. We have therefore determined crystal structures of KLaS2, KPrS2, KEuS2, KGdS2, KLuS2, KYS2, RbYS2, which belong to the α-NaFeO2 structural family (R3m), as well as NaLaS2, which is derived from the disordered NaCl structural type (Fm3m). The determined structures were compared with known members of the group 1 as well as thallium(I) rare-earth sulfides by the standard tools of crystal-chemical analysis such as comparison of bond-valences, analysis of interatomic distances and comparison of the unit-cell parameters. The results indicate why the cubic structural type is limited to Li(+) and Na(+) members of the series only. The analysis has also revealed frequent problems in the reported crystal structures, especially in the determination of the K(+) compounds, probably due to severe absorption and different accuracy and sensitivity of various instrum

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One of the purposes of this work is to provide a crystallographic review of group 1 and thallium rare-earth ternary sulfides M(+)Ln(3+)S2. We have therefore determined crystal structures of KLaS2, KPrS2, KEuS2, KGdS2, KLuS2, KYS2, RbYS2, which belong to the α-NaFeO2 structural family (R3m), as well as NaLaS2, which is derived from the disordered NaCl structural type (Fm3m). The determined structures were compared with known members of the group 1 as well as thallium(I) rare-earth sulfides by the standard tools of crystal-chemical analysis such as comparison of bond-valences, analysis of interatomic distances and comparison of the unit-cell parameters. The results indicate why the cubic structural type is limited to Li(+) and Na(+) members of the series only. The analysis has also revealed frequent problems in the reported crystal structures, especially in the determination of the K(+) compounds, probably due to severe absorption and different accuracy and sensitivity of various instrum

Keywords

CrystallographyCrystal structureThalliumTernary operationBar (unit)ChemistryBond lengthType (biology)

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