Information card for entry 2310760

Structure parameters

• Mineral name: wagnerite
• Formula: F Fe0.029 Mg1.971 O4 P
• Calculated formula: F Fe0.0292 Mg1.9707 O4 P
• Title of publication: Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)
• Authors of publication: Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 243 - 258
• a: 12.7707 ± 0.0002 Å
• b: 6.3394 ± 0.0001 Å
• c: 9.6462 ± 0.0001 Å
• α: 90°
• β: 117.524 ± 0.0005°
• γ: 90°
• Cell volume: 692.553 ± 0.017 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for significantly intense reflections: 2.87
• Goodness-of-fit parameter for all reflections included in the refinement: 2.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No