Information card for entry 1547889

Structure parameters

• Common name: Neodymium borate chloride
• Formula: B12 Cl2 Nd2 O29
• Calculated formula: B12 Cl2 Nd2 O29
• Title of publication: Rare earth separations by selective borate crystallization
• Authors of publication: Xuemiao Yin; Yaxing Wang; Xiaojing Bai; Yumin Wang; Lanhua Chen; Chengliang Xiao; Juan Diwu; Shiyu Du; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wang
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 14438
• a: 8.1867 ± 0.0004 Å
• b: 14.5421 ± 0.0007 Å
• c: 9.8317 ± 0.0005 Å
• α: 90°
• β: 90.281 ± 0.002°
• γ: 90°
• Cell volume: 1170.47 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No