Information card for entry 4517947

Structure parameters

• Formula: B6 O12 Se Zn4
• Calculated formula: B6 O12 Se Zn4
• Title of publication: Intrinsic Isotropic Near-Zero Thermal Expansion in Zn₄B₆O₁₂X (X = O, S, Se).
• Authors of publication: Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 38435 - 38440
• a: 7.68106 ± 0.00007 Å
• b: 7.68106 ± 0.00007 Å
• c: 7.68106 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 453.172 ± 0.007 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor R(I) for significantly intense reflections: 1.76
• Goodness-of-fit parameter for all reflections: 7.22
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No