Information card for entry 2105556

Structure parameters

• Chemical name: zinc molybdate
• Formula: Mo3 O8 Zn2
• Calculated formula: Mo0.5 O1.33333 Zn0.333333
• SMILES: [Zn+2].[Zn+2].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
• Title of publication: Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~
• Authors of publication: Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex. C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 683 - 697
• a: 5.77322 ± 0.00001 Å
• b: 5.77322 ± 0.00001 Å
• c: 9.91231 ± 0.00004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 286.116 ± 0.0014 ų
• Cell temperature: 18 K
• Ambient diffraction temperature: 18 K
• Number of distinct elements: 3
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.058
• Weighted residual factors for all reflections: 0.047
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No