Information card for entry 7201318

Structure parameters

• Formula: ?
• Calculated formula: B8 H31 Mg4
• Title of publication: A new phase in the decomposition of Mg(BH4)2: first-principles simulated annealing
• Authors of publication: van Setten, M. J.; Lohstroh, W.; Fichtner, M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 38
• Pages of publication: 7081
• a: 8.18356293026943 ± 0.00000000000001 Å
• b: 8.19847092315797 ± 0.00000000000001 Å
• c: 10.0119364618252 ± 0.0000000000001 Å
• α: 90 ± 1°
• β: 90.4471 ± 0.0000000000001°
• γ: 90 ± 1°
• Cell volume: 671.707 ± 0.000000000007 ų
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No