Information card for entry 1514004

Structure parameters

• Chemical name: Lithium Manganese Oxide (0.96/2.04/4)
• Formula: Li0.956 Mn2.044 O4
• Calculated formula: Li0.956 Mn2.044 O4
• Title of publication: Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides
• Authors of publication: Piszora, P.; Catlow, C. R. A.; Woodley, S. M.; Wolska, E.
• Journal of publication: Computers and Chemistry
• Year of publication: 2000
• Journal volume: 24
• Pages of publication: 609 - 613
• a: 8.2579 ± 0.0003 Å
• b: 8.2579 ± 0.0003 Å
• c: 8.2579 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 563.13 ± 0.04 ų
• Number of distinct elements: 3
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :1
• Hall space group symbol: F 4d 2 3 -1d
• Residual factor for all reflections: 0.047
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No