Information card for entry 1501757

Structure parameters

• Formula: B3 Ce Cl D12 Li
• Calculated formula: B3 Ce Cl D12 Li
• SMILES: [Ce]12345678([2H][B]([2H]1)([2H]2)[2H])([2H][B]([2H]3)([2H]4)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]12[Ce]34569%10%11([2H][B]([2H]9)([2H]%10)[2H])([2H][B]([2H]3)([2H]4)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]37[Ce]45679%10%12([2H][B]([2H]7)([2H]9)[2H])([2H][B]([2H]%10)([2H]4)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]84[Ce]156789%10([2H][B]([2H]7)([2H]8)[2H])([2H][B]([2H]9)([2H]%10)[2H])([2H][B]([2H]5)([2H]6)[2H])[Cl]%11%12[Li]234.[Li+].[Li+].[Li+]
• Title of publication: Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl
• Authors of publication: Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 47
• Pages of publication: 23591
• a: 11.5917 ± 0.0001 Å
• b: 11.5917 ± 0.0001 Å
• c: 11.5917 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.55 ± 0.02 ų
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No