Information card for entry 1546778

Structure parameters

• Common name: danburite
• Chemical name: danburite
• Formula: B4 Ca2 O16 Si4
• Calculated formula: B4 Ca2 O16 Si4
• Title of publication: A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite
• Authors of publication: Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid
• Journal of publication: IUCrJ
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• a: 7.9989 ± 0.0017 Å
• b: 7.8697 ± 0.0014 Å
• c: 6.249 ± 0.003 Å
• α: 90°
• β: 89.75 ± 0.03°
• γ: 90°
• Cell volume: 393.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 32300000 kPa
• Ambient diffracton pressure: 32300000 kPa
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2941
• Weighted residual factors for all reflections included in the refinement: 0.3095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.29024 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No