Refinement of the crystal structures of Cu₃PS₄ and Cu₃SbS₄ and a comment on normal tetrahedral structures

URN to cite this document:: urn:nbn:de:bvb:355-epub-117332
DOI to cite this document:: 10.5283/epub.11733

Pfitzner, Arno

; Reiser, Sara

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Date of publication of this fulltext: 23 Dec 2009 11:27

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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 ...