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Redetermination of tricalcium trilanthanum penta-kis(ortho-borate) from single-crystal data.

ABSTRACT: Single crystals of the title compound, Ca(3)La(3)(BO(3))(5), were obtained by spontaneous nucleation from a high-temperature melt. The crystal structure of Ca(3)La(3)(BO(3))(5) has been determined previously from X-ray powder data [Zhang, Liang, Chen, He & Xu (2001). J. Alloys Compd, 327, 96-99]. The present refinement shows a significant improvement in terms of the precision of the geometric parameters and the correct determination of the absolute configuration in space group P6(3)mc with all atoms refined with anisotropic displacement parameters. The structure consists of isolated BO(3) triangles and distorted [CaO(8)] and [LaO(10)] polyhedra. Except for one O atom, all other atoms are situated on special positions: La, all O and one B atom on mirror planes, and two B atoms with site symmetry 3m.

SUBMITTER: Zhou T

PROVIDER: S-EPMC2961477 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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Redetermination of tricalcium trilanthanum penta-kis(ortho-borate) from single-crystal data.

Zhou Tianyong T Ye Ning N

Acta crystallographica. Section E, Structure reports online 20080521 Pt 6

Single crystals of the title compound, Ca(3)La(3)(BO(3))(5), were obtained by spontaneous nucleation from a high-temperature melt. The crystal structure of Ca(3)La(3)(BO(3))(5) has been determined previously from X-ray powder data [Zhang, Liang, Chen, He & Xu (2001). J. Alloys Compd, 327, 96-99]. The present refinement shows a significant improvement in terms of the precision of the geometric parameters and the correct determination of the absolute configuration in space group P6(3)mc with all a ...[more]

PMID: 21202439

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