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Single Crystal X‐ray Structure of Cu 3 TaSe 4 and a Comparative Study of Cu 3 MX 4 ( M = V, Nb, Ta; X = S, Se, Te)
Author(s) -
Ali Sk Imran,
van Smaalen Sander
Publication year - 2014
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201300678
Subject(s) - crystallography , crystal structure , x ray crystallography , structure type , bar (unit) , rietveld refinement , chemistry , single crystal , bond length , space group , diffraction , x ray , materials science , physics , quantum mechanics , meteorology , optics
Single crystals of Cu 3 TaSe 4 were obtained by chemical vapor transport with iodine as transport agent. Cu 3 TaSe 4 crystallizes in the sulvanite structure type with space group P $\bar{4}$ 3 m and a = 5.6613(3) Å at room temperature. Structure refinements against single‐crystal X‐ray diffraction data result in a Cu–Se distance slightly longer than the Ta–Se distance, whereas previous Rietveld refinements obtained a Cu–Se distance shorter than the Ta–Se distance [G. E. Delgado et al., J. Alloys Comp. 2007 , 439 , 346]. The structural variations of sulvanite type compounds Cu 3 MX 4 ( M = V, Nb, Ta; X = S, Se, Te) are discussed in view of small distortions of Cu X 4 and MX 4 tetrahedra and the atomic valences.