Crystallography Open Database

Information card for entry 1573529

Preview

Coordinates	1573529.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
296959 (current)	2024-12-24	cif/ Adding structures of 1573529 via cif-deposit CGI script.	1573529.cif