Information card for entry 1561010

Structure parameters

• Formula: Ba2 Cl2 O6 Se2 Zn
• Calculated formula: Ba2 Cl2 O6 Se2 Zn
• SMILES: [Ba+2].[Ba+2].[Ba+2].[Ba+2].[Zn](O[Se](=O)[O-])(Cl)(O[Se](=O)[O-])(Cl)(O[Se]1=O)O[Se](=O)O[Zn](O1)(Cl)Cl
• Title of publication: Crystal structures and characterizations of two new selenite chlorides: 1D Ba2Zn(SeO3)2Cl2 and 2D BaZn2(SeO3)2Cl2
• Authors of publication: Li, Qiang; Geng, Lei; Lu, Hong-Yan; Dai, Kai; Cheng, Wen-Dan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 265
• Pages of publication: 117 - 122
• a: 6.7677 ± 0.0003 Å
• b: 12.6321 ± 0.0004 Å
• c: 5.3916 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 460.93 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0092
• Residual factor for significantly intense reflections: 0.0088
• Weighted residual factors for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections included in the refinement: 0.0228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No