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Complex copper(II) fluorides:IV. Crystal structure of Ba 6Cu 11F 34: First evidence of trinuclear edge-sharing units and defective NaCl-type blocks in crystal chemistry of fluorides

Authors
Journal
Journal of Solid State Chemistry
0022-4596
Publisher
Elsevier
Publication Date
Volume
62
Issue
2
Identifiers
DOI: 10.1016/0022-4596(86)90227-6

Abstract

Abstract Single crystals of Ba 6Cu 11F 34 were isolated from a melt corresponding to the composition 25 BaF 275 CuF 2. They are triclinic: P 1, a = 7.490(1) Å, b = 10.031(2) Å, c = 10.271(3) Å, α = 82.98(2)°, β = 73.88(2)°, γ = 70.42(2)°, Z = 1. The structure was determined from 3604 independent reflections using the program SHELX ( R = 0.054, R w = 0.052). The three-dimensional network is built from units of three edge-sharing octahedra connected by complex groups of octahedra. All the copper octahedra are elongated and the barium ions exhibit 11- or 12-fold coordination. The structural relations to Ba 6Zn 7F 26 and Ba 2Ni 3F 10 are discussed.

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