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Synthesis and Structure of the Centered Cluster Compound Ba 3 (Zr 6 Cl 18 Be)
Author(s) -
Zhang Jie,
Corbett John D.
Publication year - 1991
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.19915980133
Subject(s) - barium , superstructure , crystallography , zirconium , chlorine , cluster (spacecraft) , materials science , chemistry , crystal structure , stereochemistry , inorganic chemistry , metallurgy , physics , computer science , thermodynamics , programming language
Reaction of powdered Zr with ZrCl 4 , BaCl 2 and Be in suitable proportions in a Ta container at 800°C produces the title compound. Suitable monocrystals for X‐ray diffraction were obtained from reactions to which a comparable amount of Hg 2 Cl 2 had been added. The structure of Ba 3 Zr 6 Cl 18 Be is a superstructure of the K 2 ZrCl 6 · Zr 6 Cl 18 H type (R 3 c, Z = 6; a = 9.6852 (9) Å, c = 52.52 (1) Å; R, R w = 2.7, 3.2% for 826 independent reflections, 2θ ≤ 50°). Trigonally compressed [Zr 6 (Be)Cl 12 i ]Cl 6 a clusters are interconnected by six‐coordinate barium atoms that lie in Cl a antiprisms (a twisted version of the Zr IV site) while (9 + 3)‐coordinate barium substitutes for potassium within chlorine layers. Distortions associated with the size and field of barium are responsible for the superstructure and for differences from other analogues.