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Crystal structure of barium perchlorate anhydrate, Ba(ClO4)2, from laboratory X-ray powder data.

ABSTRACT: The previously unknown crystal structure of barium perchlorate anhydrate, determined and refined from laboratory X-ray powder diffraction data, represents a new structure type. The title compound was obtained by heating hydrated barium perchlorate [Ba(ClO4)2·xH2O] at 423?K in vacuo for 6?h. It crystallizes in the ortho-rhom-bic space group Fddd. The asymmetric unit contains one Ba (site symmetry 222 on special position 8a), one Cl (site symmetry 2 on special position 16f) and two O sites (on general positions 32h). The structure can be described as a three-dimensional polyhedral network resulting from the corner- and edge-sharing of BaO12 polyhedra and ClO4 tetra-hedra. Each BaO12 polyhedron shares corners with eight ClO4 tetra-hedra, and edges with two ClO4 tetra-hedra. Each ClO4 tetra-hedron shares corners with four BaO12 polyhedra, and an edge with the other BaO12 polyhedron.

SUBMITTER: Lee JH

PROVIDER: S-EPMC4459332 | biostudies-other | 2015 Jun

REPOSITORIES: biostudies-other

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Crystal structure of barium perchlorate anhydrate, Ba(ClO4)2, from laboratory X-ray powder data.

Lee Jeonghoo H JH Kang Ji Hoon JH Lim Sung-Chul SC Hong Seung-Tae ST

Acta crystallographica. Section E, Crystallographic communications 20150509 Pt 6

The previously unknown crystal structure of barium perchlorate anhydrate, determined and refined from laboratory X-ray powder diffraction data, represents a new structure type. The title compound was obtained by heating hydrated barium perchlorate [Ba(ClO4)2·xH2O] at 423 K in vacuo for 6 h. It crystallizes in the ortho-rhom-bic space group Fddd. The asymmetric unit contains one Ba (site symmetry 222 on special position 8a), one Cl (site symmetry 2 on special position 16f) and two O sites (on gen ...[more]

PMID: 26090128

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