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Penta-zirconium copper tribismuth.

ABSTRACT: Penta-zirconium copper tribismuth, Zr5CuBi3, crystallizes in the hexa-gonal Hf5CuSn3 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 tetra-gonal anti-prism with one added atom and a coordination number (CN) of 9. The polyhedron around the Zr1 atom is a defective cubo-octa-hedron with CN = 11. The bicapped hexa-gonal anti-prism (CN = 14) is typical for Zr2 atoms. The Cu atom is enclosed in a eight-vertex polyhedron (octa-hedron with two centered faces). The metallic type of bonding was indicated by an analysis of the inter-atomic distances and electronic structure calculation data.

SUBMITTER: Balinska A

PROVIDER: S-EPMC3793669 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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Penta-zirconium copper tribismuth.

Balinska Agnieszka A Tarasiuk Ivan I Pavlyuk Volodymyr V

Acta crystallographica. Section E, Structure reports online 20130717 Pt 8

Penta-zirconium copper tribismuth, Zr5CuBi3, crystallizes in the hexa-gonal Hf5CuSn3 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 tetra-gonal anti-prism with one added atom and a coordination number (CN) of 9. The polyhedron around the Zr1 atom is a defective cubo-octa-hedron with CN = 11. The bicapped hexa-gonal anti-prism (CN = 14) is typical for ...[more]

PMID: 24109256

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