Information card for entry 2310715

Structure parameters

• Chemical name: Ti45 Se16
• Formula: Se16 Ti45
• Calculated formula: Se16 Ti45
• Title of publication: First-principles calculations as a tool for structure validation in electron crystallography
• Authors of publication: Weirich, T. E.
• Journal of publication: Acta Crystallographica Section A
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 75 - 81
• a: 36.31 Å
• b: 3.45 Å
• c: 16.59 Å
• α: 90°
• β: 92.1°
• γ: 90°
• Cell volume: 2076.82 ų
• Number of distinct elements: 2
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No