Received 30 December 2011
aNational Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083, People's Republic of China,bKey Laboratory of Functional Crystal and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China, and cGraduate University of Chinese Academy of Sciences, Beijing 100049, People's Republic of China
Correspondence e-mail: email@example.com
Single crystals of trisodium scandium bis(orthoborate), Na3Sc(BO3)2, have been obtained by spontaneous crystallization from an Na2O-Sc2O3-B2O3 melt. The crystal structure features a three-dimensional framework composed of planar [BO3]3- groups and distorted ScO6 octahedra with Na atoms in the cavities. The Sc atom occupies a special position (Wyckoff position 2b, site symmetry -1) and of the two Na atoms, one occupies a special position (Wyckoff position 2c, site symmetry -1).
For Na3Sc2(BO3)3, see: Zhang et al. (2006) and for NaScB2O5, see: Becker & Held (2001). For similar structures, see: Cai et al. (2011). The program STRUCTURE TIDY (Gelato & Parthé, 1987) was used to standardize the structural data.
Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FI2123 ).
The authors thank Professor Kaibei Yu, of the State Key Laboratory of Explosion Science and Technology of Beijing Institute of Technology, for collecting the single-crystal X-ray diffraction data. This work was supported financially by the National Natural Science Foundation of China (Nos. 91022026 and 51132005) and the Beijing Natural Science Foundation (No. 2102044).
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