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Crystal structure of the mixed-metal tris-ulfide BaCu1/3Ta2/3S3.

ABSTRACT: The mixed-metal title compound, BaCu1/3Ta2/3S3 [barium copper(II) tantalum(V) tris-ulfide], was prepared through solid-state reactions. The crystal structure adopts the BaTaS3 structure type and consists of face-sharing [MS6] (M = Ta,Cu) octa-hedra (point-group symmetry -3m.) that are condensed into infinite chains along [001]. Adjacent chains are linked through the barium cations (site symmetry -6m2), which exhibit a coordination number of twelve. The M site is occupied by 2/3 of TaV and 1/3 of CuII, whereby the average M-S distances are slightly longer than those of ordered BaTaS3. The classical charge balance of the title compound can be represented by [Ba2+] [(Ta/Cu)4+] [S2-]3.

SUBMITTER: Bu K

PROVIDER: S-EPMC5418790 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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Crystal structure of the mixed-metal tris-ulfide BaCu1/3Ta2/3S3.

Bu Kejun K He Jianqiao J Wang Dong D Zheng Chong C Huang Fuqiang F

Acta crystallographica. Section E, Crystallographic communications 20170418 Pt 5

The mixed-metal title compound, BaCu1/3Ta2/3S3 [barium copper(II) tantalum(V) tris-ulfide], was prepared through solid-state reactions. The crystal structure adopts the BaTaS3 structure type and consists of face-sharing [MS6] (M = Ta,Cu) octa-hedra (point-group symmetry -3m.) that are condensed into infinite chains along [001]. Adjacent chains are linked through the barium cations (site symmetry -6m2), which exhib ...[more]

PMID: 28529782

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