Information card for entry 2012637

Structure parameters

• Common name: barium copper indium nitride
• Chemical name: tetradecabarium dicopper tetraindium heptanitride
• Formula: Ba14 Cu2 In4 N7
• Calculated formula: Ba14 Cu2 In4 N7
• SMILES: [N].[Ba].[N].[Ba].[Cu].[N].[N].[Ba].[Ba].[Ba].[Ba].[Ba].[N].[Ba].[N].[In].[In].[Ba].[Cu].[Ba].[Ba].[Ba].[N].[Ba].[Ba].[In].[In]
• Title of publication: Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters
• Authors of publication: Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: i50 - i52
• a: 9.3225 ± 0.0019 Å
• b: 8.0089 ± 0.0017 Å
• c: 21.651 ± 0.005 Å
• α: 90°
• β: 102.263 ± 0.005°
• γ: 90°
• Cell volume: 1579.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes