Pfitzner, Arno and Bernert, Thomas (2004) The system Cu3AsS4-Cu3SbS4 and investigations on normal tetrahedral structures. ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 219 (1). pp. 20-26. ISSN 0044-2968
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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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CRYSTAL-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 |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 27 Jul 2021 09:25 |
| Last Modified: | 27 Jul 2021 09:25 |
| URI: | https://pred.uni-regensburg.de/id/eprint/38296 |
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