Information card for entry 1546776

Structure parameters

• Common name: danburite
• Chemical name: danburite
• Formula: B2 Ca O8 Si2
• Calculated formula: B2 Ca O8 Si2
• 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: 6.3537 ± 0.0005 Å
• b: 7.9518 ± 0.0003 Å
• c: 8.0112 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 404.75 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 25400000 kPa
• Ambient diffracton pressure: 25400000 kPa
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.29056 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No