Information card for entry 1573529

Structure parameters

• Formula: Al2 Ca H6 O13 Si3
• Calculated formula: Al2 Ca H6 O13 Si3
• Title of publication: Diffractometer for element-specific analysis on local structures using a combination of X-ray fluorescence holography and anomalous X-ray scattering.
• Authors of publication: Tajiri, Hiroo; Kohara, Shinji; Kimura, Koji; Halubai, Sekhar; Morimoto, Haruto; Happo, Naohisa; Stellhorn, Jens R.; Onodera, Yohei; Qiao, Xvsheng; Urushihara, Daisuke; Hu, Peidong; Wakihara, Toru; Kinoshita, Toyohiko; Hayashi, Koichi
• Journal of publication: Journal of synchrotron radiation
• Year of publication: 2025
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 125 - 132
• a: 6.5252 ± 0.0001 Å
• b: 18.9769 ± 0.0003 Å
• c: 9.7779 ± 0.0002 Å
• α: 90°
• β: 108.857 ± 0.0006°
• γ: 90°
• Cell volume: 1145.79 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Goodness-of-fit parameter for all reflections included in the refinement: 2.26
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No