Information card for entry 7134975

Structure parameters

• Common name: Calcium nitridomanganate oxide
• Formula: Ca6 Mn2 N6 O
• Calculated formula: Ca6 Mn2 N6 O
• Title of publication: Multiple bonding in unbridged Mn-Mn dimers of solid-state nitridomanganate(IV) oxide Ca₆[Mn₂N₆]O.
• Authors of publication: Buschmann, Niklas; Werhahn, Dominik; Steinberg, Simon; Ritter, Clemens; Attfield, J. Paul; Kloß, Simon D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 80
• Pages of publication: 15662 - 15665
• a: 8.92557 ± 0.00007 Å
• b: 8.92557 ± 0.00007 Å
• c: 9.23716 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 637.296 ± 0.012 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor R(I) for significantly intense reflections: 0.02
• Goodness-of-fit parameter for all reflections: 0.029
• Method of determination: powder diffraction
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No