Information card for entry 7243576

Structure parameters

• Chemical name: Ca10.63(2)Gd0.37Sb9.74(1)
• Formula: Ca10.63 Gd0.37 Sb9.74
• Calculated formula: Ca10.63 Gd0.37 Sb9.74
• Title of publication: Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials
• Authors of publication: Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 7097 - 7107
• a: 11.9875 ± 0.0017 Å
• b: 11.9875 ± 0.0017 Å
• c: 17.36 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2494.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No