Penta­zirconium copper tribismuth

Penta­zirconium copper tribismuth, Zr(5)CuBi(3), crystallizes in the hexa­gonal Hf(5)CuSn(3) structure type. The asymmetric unit contains two Zr sites (site symmetries 3.2 and m2m), one Cu site (site symmetry 3.m) and one Bi site (site symmetry m2m). The environment of the Bi atoms is a tetra­gonal...

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Detalles Bibliográficos
Autores principales: Balinska, Agnieszka, Tarasiuk, Ivan, Pavlyuk, Volodymyr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Inorganic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793669/
https://www.ncbi.nlm.nih.gov/pubmed/24109256
http://dx.doi.org/10.1107/S1600536813019235
Descripción
Sumario:Penta­zirconium copper tribismuth, Zr(5)CuBi(3), crystallizes in the hexa­gonal Hf(5)CuSn(3) structure type. The asymmetric unit contains two Zr sites (site symmetries 3.2 and m2m), one Cu site (site symmetry 3.m) and one Bi site (site symmetry m2m). The environment of the Bi atoms is a tetra­gonal anti­prism with one added atom and a coordination number (CN) of 9. The polyhedron around the Zr1 atom is a defective cubo­octa­hedron with CN = 11. The bicapped hexa­gonal anti­prism (CN = 14) is typical for Zr2 atoms. The Cu atom is enclosed in a eight-vertex polyhedron (octa­hedron with two centered faces). The metallic type of bonding was indicated by an analysis of the inter­atomic distances and electronic structure calculation data.

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