Information card for entry 7246996

Structure parameters

• Common name: iodate
• Chemical name: Cesium Tantale Iodate
• Formula: Cs3 I8 O24 Ta
• Calculated formula: Cs3 I8 O24 Ta
• Title of publication: New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction
• Authors of publication: Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 30
• Pages of publication: 4364 - 4369
• a: 8.07743 ± 0.0001 Å
• b: 8.07743 ± 0.0001 Å
• c: 23.4262 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1323.67 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No