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Refinement of the crystal structures of Cu₃PS₄ and Cu₃SbS₄ and a comment on normal tetrahedral structures
Article
Pfitzner, Arno
and Reiser, Sara
(2002)
Refinement of the crystal structures of Cu₃PS₄ and Cu₃SbS₄ and a comment on normal tetrahedral structures.
Zeitschrift für Kristallographie – New Crystal Structures (217), pp. 51-54.
DOI to cite this document: 10.5283/epub.11733
Abstract
The crystal structures Of Yellow Cu3PS4 and of black Cu3SbS4 were refined from single crystal X-ray diffraction data. Cu3PS4 crystallizes orthorhombic in an ordered wurtzite superstructure type with the space Group Pmn2(l) (no. 31), a = 7.282(l) Angstrom, b = 6.339(l) Angstrom, c = 6.075(l) Angstrom, V = 280.38(8) Angstrom(3), and Z = 2. The refinement converged to R = 0.0276, and wR2 = 0.0710 ...
The crystal structures Of Yellow Cu3PS4 and of black Cu3SbS4 were refined from single crystal X-ray diffraction data. Cu3PS4 crystallizes orthorhombic in an ordered wurtzite superstructure type with the space Group Pmn2(l) (no. 31), a = 7.282(l) Angstrom, b = 6.339(l) Angstrom, c = 6.075(l) Angstrom, V = 280.38(8) Angstrom(3), and Z = 2. The refinement converged to R = 0.0276, and wR2 = 0.0710 for 737 unique reflections and 44 parameters. Cu3SbS4 crystallizes tetragonal in an ordered sphalerite superstructure type with the space group 142m (no. 121), a 3 5.391(1) Angstrom, 10.764(l) Angstrom, V= 312.83(9) Angstrom(3), and Z= 2. The refinement converged to R = 0.0213, and wR2 0.0532 for 492 unique reflections and 14 parameters. The crystal structures of the title compounds and related normal tetrahedral structures are discussed with respect to the preference of either hexagonal or cubic packing of the anions.
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Details
| Item type | Article | ||||
| Journal or Publication Title | Zeitschrift für Kristallographie – New Crystal Structures | ||||
| Publisher | R OLDENBOURG VERLAG | ||||
| Place of Publication | MUNICH | ||||
| Number of Issue or Book Chapter | 217 | ||||
| Page Range | pp. 51-54 | ||||
| Date | 2002 | ||||
| Date of publication | 23 Dec 2009 11:27 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner | ||||
| Identification Number |
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| Keywords | ; | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Unknown | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-117332 | ||||
| Item ID | 11733 |
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