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Pfitzner, Arno ; Bernert, Thomas

The system Cu₃AsS₄ - Cu₃SbS₄ and investigations on normal tetrahedral structures

Pfitzner, Arno and Bernert, Thomas (2004) The system Cu₃AsS₄ - Cu₃SbS₄ and investigations on normal tetrahedral structures. Zeitschrift für Kristallographie – New Crystal Structures (219), pp. 20-26.

Date of publication of this fulltext: 23 Dec 2009 11:27
Article
DOI to cite this document: 10.5283/epub.11734


Abstract

In order to develop a novel model to predict if a so called normal tetrahedral compound crystallizes in a wurtzite- or sphalerite superstructure type, the system Cu3AsS4-Cu3SbS4 was reinvestigated. A solid solution series was prepared and the mixed crystals were characterized by powder X-ray techniques. The crystal structures Of Cu3As0.330Sb0.670S4, Cu3As0.736Sb0.264S4, and Cu3AsS4 were refined ...

In order to develop a novel model to predict if a so called normal tetrahedral compound crystallizes in a wurtzite- or sphalerite superstructure type, the system Cu3AsS4-Cu3SbS4 was reinvestigated. A solid solution series was prepared and the mixed crystals were characterized by powder X-ray techniques. The crystal structures Of Cu3As0.330Sb0.670S4, Cu3As0.736Sb0.264S4, and Cu3AsS4 were refined from single crystal X-ray data. The refinements converged to R = 0.0209, wR2 = 0.0484 (Cu3As0.330Sb0.670S4, 201 unique reflections, 15 parameters), R = 0.0235, wR2 = 0.0596 (Cu3As0.736Sb0.264S4, 218 reflections, 15 parameters), and R = 0.0241, wR2 = 0.0669 (Cu3AsS4, 721 reflections, 45 parameters). Z is 2 for all compounds. The volumes of the tetrahedra [MS4] were calculated for the investigated compounds. In addition, the corresponding data were calculated for further solids from literature data. The volumes of the tetrahedra are used to separate compounds with a sphalerite type anion arrangement from compounds with hexagonal packed anions. A closer inspection of the tetrahedra volumes reveals a greater variation for one given material in the case of wurtzite type superstructures than for sphalerite type superstructures. A critical difference in the tetrahedra volumes is derived from these data.



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Details

Item typeArticle
Journal or Publication TitleZeitschrift für Kristallographie – New Crystal Structures
Publisher:R OLDENBOURG VERLAG
Place of Publication:MUNICH
Number of Issue or Book Chapter:219
Page Range:pp. 20-26
Date2004
InstitutionsChemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner
Identification Number
ValueType
10.1524/zkri.219.1.20.25398DOI
KeywordsCRYSTAL-STRUCTURE; STRUCTURE REFINEMENT; PHASE RELATIONS; CU3ASS4; CHALCOGENIDES; COPPER; CONDUCTIVITY; SULFOSALTS; ENARGITE; X-ray diffraction; powder diffraction structure analysis; single crystal structure analysis; thiometallate; tetrahedral structures; wurtzite structure type; sphalerite structure type
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgUnknown
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-117348
Item ID11734

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