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Ba5Cl4(H2O)8(VPO5)8: a novel three-dimensional framework solid.

ABSTRACT: The novel hydrothermally synthesized title compound, pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate), Ba(5)Cl(4)(H(2)O)(8)(VPO(5))(8), crystallizes in the orthorhombic space group Cmca with a unit cell containing four formula units. Two Ba(2+) cations, two Cl(-) anions and the O atoms of four water molecules are situated on the (100) mirror plane, while the third independent Ba(2+) cation is on the intersection of the (100) plane and the twofold axis parallel to a. Two phosphate P atoms are on twofold axes, while the remaining independent P atom and both V atoms are in general positions. The structure is characterized by two kinds of layers, namely anionic oxovanadium phosphate (VPO(5)), composed of corner-sharing VO(5) square pyramids and PO(4) tetrahedra, and cationic barium chloride hydrate clusters, Ba(5)Cl(4)(H(2)O)(8), composed of three Ba(2+) cations linked by bridging chloride anions. The layers are connected by Ba-O bonds to generate a three-dimensional structure.

SUBMITTER: Zhang AY

PROVIDER: S-EPMC2855588 | biostudies-other | 2010 Mar

REPOSITORIES: biostudies-other

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Ba5Cl4(H2O)8(VPO5)8: a novel three-dimensional framework solid.

Zhang Ai-Yun AY Zheng Juan J Wang Qiu-Fen QF

Acta crystallographica. Section C, Crystal structure communications 20100203 Pt 3

The novel hydrothermally synthesized title compound, pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate), Ba(5)Cl(4)(H(2)O)(8)(VPO(5))(8), crystallizes in the orthorhombic space group Cmca with a unit cell containing four formula units. Two Ba(2+) cations, two Cl(-) anions and the O atoms of four water molecules are situated on the (100) mirror plane, while the third independent Ba(2+) cation is on the intersection of the (100) plane and the twofold axis parallel to a. Two phosp ...[more]

PMID: 20203389

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