Information card for entry 7241491

Structure parameters

• Formula: Cu1.94 S4 Sn Zn1.06
• Calculated formula: Cu1.94 S4 Sn Zn1.06
• Title of publication: Cu2ZnSnS4 crystal growth using an SnCl2 based flux
• Authors of publication: Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 1025 - 1032
• a: 5.4383 ± 0.0002 Å
• b: 5.4383 ± 0.0002 Å
• c: 10.8455 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 320.76 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0092
• Residual factor for significantly intense reflections: 0.0092
• Weighted residual factors for significantly intense reflections: 0.0224
• Weighted residual factors for all reflections included in the refinement: 0.0224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No