Information card for entry 2020661

Structure parameters

• Formula: H0.5 K1.5 Mg2 O7 Si2
• Calculated formula: K1.4712 Mg2 O7 Si2
• Title of publication: Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth
• Authors of publication: Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 822 - 827
• a: 5.0535 ± 0.0003 Å
• b: 5.0535 ± 0.0003 Å
• c: 13.2229 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 292.44 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.451
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No