Crystal structure of Ba6Zn7F26
1985; Elsevier BV; Volume: 59; Issue: 1 Linguagem: Inglês
10.1016/0022-4596(85)90356-1
ISSN1095-726X
AutoresJ. Renaudin, Meshcherjakov V.L., M. Leblanc, Ariel de Kozak, Gérard Férey,
Tópico(s)Inorganic Chemistry and Materials
ResumoAbstract Ba 6 Zn 7 F 26 is monoclinic (S.G. C 2/ m ): a = 19.46(1) A˚, b = 5.956(2) A˚, c = 12.243(5) A˚, β = 128.88(1)°, Z = 2. The structure has been refined from 1730 independent reflections to R = 0.046 ( R ω = 0.049). The three dimensional network can be described as layers containing intergrown rutile and perovskite units. Two layers are connected by isolated octahedra. An alternative description uses defective rutile blocks joined by isolated octahedra. The comparison with the Ba 2 Ni 3 F 10 structure suggests a “condensation” mechanism which could explain the progressive transformation from perovskite related structures to the rutile structure. All the Ba 2+ (three (4 i ) sites), form a dense packing with F − . They are dodeca-coordinated, with the hcp and fcc type for Ba 3 and (Ba 1 /Ba 2 ), respectively.
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