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Redetermination of ?-Ba(PO3)2.

ABSTRACT: In comparison with the previous structure determination of the ?-modification of barium catena-polyphosphate that was based on Weissenberg film data [Grenier et al. (1967 ?). Bull. Soc. Fr. Minéral. Cristallogr. 90, 24-31], the current CCD-data-based redetermination reveals all atoms with anisotropic displacement parameters, standard uncertainties for the atomic coordinates, and the determination of the absolute structure. Moreover, a much higher accuracy in terms of the bond-length distribution for the polyphosphate chain, with two shorter and two longer P-O distances, was achieved. The structure consists of polyphosphate chains extending parallel to [100] with a periodicity of two PO4 tetra-hedra. The Ba(2+) cations are located between the chains and are surrounded by ten O atoms in the form of a distorted coordination polyhedron, with Ba-O distances ranging from 2.765?(3) to 3.143?(3)?Å, also reflecting the higher precision of the current redetermination.

SUBMITTER: Weil M

PROVIDER: S-EPMC3998241 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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Redetermination of β-Ba(PO3)2.

Weil Matthias M

Acta crystallographica. Section E, Structure reports online 20140111 Pt 2

In comparison with the previous structure determination of the β-modification of barium catena-polyphosphate that was based on Weissenberg film data [Grenier et al. (1967 ▶). Bull. Soc. Fr. Minéral. Cristallogr. 90, 24-31], the current CCD-data-based redetermination reveals all atoms with anisotropic displacement parameters, standard uncertainties for the atomic coordinates, and the determination of the absolute structure. Moreover, a much higher accuracy in terms of the bond-length distribution ...[more]

PMID: 24764803

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