Acta Cryst. (2008). E64, i37  [ doi:10.1107/S1600536808014785 ]

Redetermination of tricalcium trilanthanum pentakis(orthoborate) from single-crystal data

T. Zhou and N. Ye

Abstract: Single crystals of the title compound, Ca₃La₃(BO₃)₅, were obtained by spontaneous nucleation from a high-temperature melt. The crystal structure of Ca₃La₃(BO₃)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 P6₃mc with all atoms refined with anisotropic displacement parameters. The structure consists of isolated BO₃ triangles and distorted [CaO₈] and [LaO₁₀] 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.

Online 21 May 2008

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