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The Crystal Structure of Ba 58 Ga 22 F 180 O
Author(s) -
Pierrard Angélique,
Samouël Maurice,
Gredin Patrick,
Laval JeanPaul,
de Kozak Ariel
Publication year - 2003
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.200300027
Subject(s) - octahedron , tetragonal crystal system , crystallography , tetrahedron , crystal structure , barium , fluorite , fluorine , ion , chemistry , group (periodic table) , crystal (programming language) , inorganic chemistry , organic chemistry , computer science , programming language
The crystal structure of Ba 58 Ga 22 F 180 O is established by means of X‐ray single crystal diffraction. It is tetragonal: a = 22.033(1) Å, c = 17.626(1) Å, Z = 2. The structure is solved in the space group I4/mmm (n° 139), using 3219 independent reflections. It is mainly built from a deficient arrangement of fluorite‐type [FBa 4 ] tetrahedra connected by edges and vertices which constitutes the skeleton of the structure, giving rise to large cavities in which lie isolated fluorine ions in tetrahedral and octahedral barium environment, isolated [F 2 Ba 6 ] bitetrahedra, isolated barium ions in eight‐coordination of fluorine and a complex arrangement of isolated [GaF 6 ] octahedra and isolated [Ga 2 F 10 O] bioctahedra.