Information card for entry 1527968

Structure parameters

• Chemical name: Ba Cs2 Fe (C N)6 (H2 O)2
• Formula: C6 H4 Ba Cs2 Fe N6 O2
• Calculated formula: C6 H4 Ba Cs2 Fe N6 O2
• SMILES: O.[Ba+2].N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.[Cs+].O.[Cs+]
• Title of publication: Lattice instabilities in Cs2 M Fe (C N)6 (M = Mg(2+) , Ca(2+) , and Sr(2+) ): The crystal structure of Cs2 Ba Fe (C N)6 (H2 O)2
• Authors of publication: Rafalko, J.J.; Swanson, B.I.; Beall, G.W.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1977
• Journal volume: 21
• Pages of publication: 195 - 201
• a: 8.799 Å
• b: 7.555 Å
• c: 11.607 Å
• α: 90°
• β: 78.56°
• γ: 90°
• Cell volume: 756.263 ų
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No