Information card for entry 7220526

Structure parameters

• Common name: CZTSe
• Chemical name: Copper Zinc Tin selenide
• Formula: Cu2 Se4 Sn Zn
• Calculated formula: Cu2 Se4 Sn Zn
• Title of publication: The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe).
• Authors of publication: Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 15088 - 15092
• a: 5.69647 ± 0.00005 Å
• b: 5.69647 ± 0.00005 Å
• c: 11.3394 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 367.961 ± 0.008 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Goodness-of-fit parameter for all reflections included in the refinement: 1.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No