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Infinite Gold Zig‐Zag Chains as Structural Motif in Ca 3 Au 3 In – A Ternary Ordered Variant of the Ni 4 B 3 Type
Author(s) -
Muts Ihor R.,
Zaremba Vasyl I.,
Rodewald Ute Ch.,
Pöttgen Rainer
Publication year - 2008
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.200700305
Subject(s) - crystallography , zigzag , ternary operation , boron , trigonal crystal system , tantalum , indium , crystal structure , nickel , materials science , diffraction , chemistry , metallurgy , physics , geometry , mathematics , organic chemistry , computer science , optics , programming language
New auride Ca 3 Au 3 In was synthesized from the elements in a sealed tantalum tube in a high‐frequency furnace. Ca 3 Au 3 In was investigated by X‐ray powder and single crystal diffraction: ordered Ni 4 B 3 type, Pnma , a = 1664.1(6), b = 457.3(2), c = 895.0(3) pm, wR2 = 0.0488, 1361 F 2 values, and 44 variables. The three crystallographically independent boron positions of the Ni 4 B 3 type are occupied by the gold atoms, while the four nickel sites are occupied by calcium and indium in an ordered manner. All gold atoms have trigonal prismatic coordination, i.e. Ca 6 prisms for Au1 and Au2 and Ca 4 In 2 prisms for Au3. While the Au3 atoms are isolated, we observe Au1–Au1 and Au2–Au2 zig‐zag chains at Au–Au distances of 292 and 284 pm. These slabs resemble the CrB type structure of CaAu. Consequently Ca 3 Au 3 In can be considered as a ternary auride. Together the Au2, Au3 and indium atoms build up a three‐dimensional [Au 2 In] polyanionic network (281–293 pm Au–In) in which the chains of Au1 centered trigonal prisms are embedded. The crystal chemical similarities with the structures of Ni 4 B 3 , CaAuIn, and CaAu are discussed.