Information card for entry 1526650

Structure parameters

• Formula: Ba
• Calculated formula: Ba
• SMILES: [Ba]
• Title of publication: Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure
• Authors of publication: Kitano, A.; Shintani, A.; Moriguchi, K.; Sakata, M.; Yonemura, M.; Munetoh, S.; Takata, M.; Nishibori, E.; Yamanaka, S.; Fukuoka, H.
• Journal of publication: Physical Review, Serie 3. B - Condensed Matter (18,1978-)
• Year of publication: 2001
• Journal volume: 64
• Pages of publication: 0452061 - 0452069
• a: 4.758 Å
• b: 4.758 Å
• c: 4.758 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 107.714 ų
• Number of distinct elements: 1
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No