Information card for entry 9012239

Structure parameters

• Mineral name: Diamond
• Formula: C
• Calculated formula: C
• SMILES: [C]
• Title of publication: Possible 3D carbon structures as progressive intermediates in graphite to diamond phase transition Note: mathematical model, phase: diam_cr44_ch*; optimized without VDW terms
• Authors of publication: Fayos, J.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1999
• Journal volume: 148
• Pages of publication: 278 - 285
• a: 4.261 Å
• b: 4.261 Å
• c: 4.261 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 77.363 ų
• Number of distinct elements: 1
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No