Information card for entry 1548550

Structure parameters

• Common name: dft optimized protoenstatite
• Mineral name: protoenstatite
• Formula: Mg O3 Si
• Calculated formula: Mg O3 Si
• Title of publication: Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K)
• Authors of publication: Kanzaki, M.; Xue, X.
• Journal of publication: Journal of Mineralogical and Petrological Sciences
• Year of publication: 2017
• Journal volume: 112
• Pages of publication: 359 - 364
• a: 9.2732 Å
• b: 8.7266 Å
• c: 5.3217 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 430.651 ų
• Ambient diffraction temperature: 0 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No