Crystallography Open Database

Information card for entry 7700630

Preview

Coordinates	7700630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce In O S2
Calculated formula	Ce In O S2
Title of publication	An electronic structure governed by the displacement of the indium site in In-S<sub>6</sub> octahedra: LnOInS<sub>2</sub> (Ln = La, Ce, and Pr).
Authors of publication	Ito, Hiroaki; Miura, Akira; Goto, Yosuke; Mizuguchi, Yoshikazu; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Azuma, Masaki; Liu, Jinjia; Wen, Xiao-Dong; Nishioka, Shunta; Maeda, Kazuhiko; Masubuchi, Yuji; Rosero-Navarro, Nataly Carolina; Tadanaga, Kiyoharu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12272 - 12278
a	3.99156 ± 0.00007 Å
b	3.98626 ± 0.00008 Å
c	12.709 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	202.218 ± 0.006 Å³
Cell temperature	450 K
Ambient diffraction temperature	450 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for all reflections	0.0945
Weighted residual factors for significantly intense reflections	0.0945
Goodness-of-fit parameter for all reflections	8.54
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.49527 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223921 (current)	2019-11-07	cif/ Updating files of 7700629, 7700630, 7700631, 7700632, 7700633, 7700634, 7700635, 7700636, 7700637 Original log message: Adding full bibliography for 7700629--7700637.cif.	7700630.cif
217252	2019-07-25	cif/ Adding structures of 7700629, 7700630, 7700631, 7700632, 7700633, 7700634, 7700635, 7700636, 7700637 via cif-deposit CGI script.	7700630.cif