Single Crystal X‐ray Structure of Cu3TaSe4 and a Comparative Study of Cu3MX4 (M = V, Nb, Ta; X = S, Se, Te)1. Issue 5 (12th February 2014)

• Record Type: Journal Article
• Authors: Ali, Sk Imran; van Smaalen, Sander
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 640:Issue 5(2014)
• Page Start: 931
• Page End: 934
• Publication Date: 2014-02-12
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.201300678
• Languages: English
• ISSNs: 0044-2313

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>Single crystals of Cu₃TaSe₄ were obtained by chemical vapor transport with iodine as transport agent. Cu₃TaSe₄ crystallizes in the sulvanite structure type with space group <italic>P</italic><tex-math notation="tex"><![CDATA[$\bar{4}$]]></tex-math><inline-graphic xlink:href="ark:/27927/pgg52xccxpw" mimetype="image" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />3<italic>m</italic> and <italic>a</italic> = 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., <italic>J. Alloys Comp.</italic><bold>2007</bold>, <italic>439</italic>, 346]. The structural variations of sulvanite type compounds Cu₃<italic>MX</italic>₄ (<italic>M</italic> = V, Nb, Ta; <italic>X</italic> = S, Se, Te) are discussed in view of small distortions of Cu<italic>X</italic>₄ and <italic>MX</italic>₄ tetrahedra and the atomic valences.</p> </abstract>