Information card for entry 1556729

Structure parameters

• Formula: Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6
• Calculated formula: Ba0.45 Ce1.0425 K0.549 Na5.6205 O76.7345 Si18.761 Ti6
• Title of publication: Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin
• Authors of publication: Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena
• Journal of publication: IUCrJ
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 121 - 128
• a: 35.908 ± 0.005 Å
• b: 27.784 ± 0.003 Å
• c: 33.126 ± 0.004 Å
• α: 90°
• β: 96.494 ± 0.003°
• γ: 90°
• Cell volume: 32837 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No