Information card for entry 2300076

Structure parameters

• Formula: C Fe3
• Calculated formula: C Fe3
• SMILES: [Fe].[Fe].[Fe].[C]
• Title of publication: Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction
• Authors of publication: Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2004
• Journal volume: 37
• Journal issue: 1
• Pages of publication: 82 - 90
• a: 5.08395 ± 0.00017 Å
• b: 6.7558 ± 0.0002 Å
• c: 4.51728 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 155.151 ± 0.008 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No