Information card for entry 4510234

Structure parameters

• Formula: Cd I6 Tl4
• Calculated formula: Cd I6 Tl4
• SMILES: I[Cd](I)([I-])([I-])([I-])[I-].[Tl+].[Tl+].[Tl+].[Tl+]
• Title of publication: Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection
• Authors of publication: Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2401
• a: 9.2288 ± 0.0004 Å
• b: 9.2288 ± 0.0004 Å
• c: 9.6054 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 818.1 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No