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Information card for entry 7220586
Preview
Coordinates | 7220586.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B3 Ba7 Cl Ge O13 |
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Calculated formula | B3 Ba7 Cl Ge O13 |
SMILES | B([O-])([O-])[O-].[Ba+2].[O-]B([O-])[O-].[Ba+2].[O-][Ge]([O-])([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Cl-].B([O-])([O-])[O-] |
Title of publication | Ba7(BO3)3GeO4X (X=Cl, Br): the borogermanate halides with rigid GeO4 tetrahedra and flexible XBa6 octahedra |
Authors of publication | Wen, Ming; Lian, Zhipeng; Wu, Hongping; Su, Xin; Yan, Qingfeng; Lu, Juanjuan; Yang, Zhihua; Pan, ShiLie |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 20.353 ± 0.018 Å |
b | 7.416 ± 0.006 Å |
c | 11.123 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1679 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 55 |
Hermann-Mauguin space group symbol | P b a m |
Hall space group symbol | -P 2 2ab |
Residual factor for all reflections | 0.0545 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0612 |
Weighted residual factors for all reflections included in the refinement | 0.0675 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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