Information card for entry 2106010

Structure parameters

• Formula: Ba O6.84 Si2 Ti
• Calculated formula: Ba O6.843 Si2 Ti
• Title of publication: Structure and stability of BaTiSi~2~O~7~
• Authors of publication: Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• a: 7.98355 ± 0.00031 Å
• b: 10.0084 ± 0.0004 Å
• c: 7.47952 ± 0.00027 Å
• α: 90°
• β: 100.321 ± 0.0031°
• γ: 90°
• Cell volume: 587.96 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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
• Goodness-of-fit parameter for all reflections: 11.41
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.70448 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No