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Crystal Structure of a New Acentric Oxide Fluoride of V IV : BaVOF 4
Author(s) -
CrosnierLopez M. P.,
Duroy H.,
Fourquet J. L.
Publication year - 1994
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.19946200216
Subject(s) - acentric factor , crystallography , octahedron , crystal structure , ion , hydrothermal synthesis , valence (chemistry) , barium , stacking , chemistry , hexagonal crystal system , lattice energy , materials science , hydrothermal circulation , inorganic chemistry , organic chemistry , seismology , geology
The structure of BaVOF 4 has been determined by X‐ray diffraction data from a single crystal obtained by hydrothermal synthesis: S.G. Fdd2 (acentric), Z = 16, a = 7.920(1), b = 27.608(2) and c = 7.375(1) Å with R = 0.0262 and R w = 0.0273 for 1 508 independent reflections and 64 parameters. The network is built up from cis‐linked VOF 5 octahedra forming infinite kinked chains running along the [101] and [101] directions, connected by barium cations. The location of O 2− and F − ions is discussed using bond valence calculations. As for BaTiOF 4 and some compounds in the series A II M III F 5 (A = Ba, Sr and M = Ga, Al, Mn), the structure can be described in terms of a quasi hexagonal compact planes stacking of Ba 2+ , O 2− and F − ions.