Crystallography Open Database

Information card for entry 1568137

Preview

Coordinates	1568137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu11.19 Na10.21 O2 Se10
Calculated formula	Cu11.192 Na10.2 O2 Se10
Title of publication	Discovery of chalcogenides structures and compositions using mixed fluxes
Authors of publication	Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Journal of publication	Nature
Year of publication	2022
Journal volume	612
Journal issue	7938
Pages of publication	72 - 77
a	15.772 ± 0.003 Å
b	4.0654 ± 0.0008 Å
c	20.828 ± 0.004 Å
α	90°
β	110.33 ± 0.03°
γ	90°
Cell volume	1252.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1279
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	0.492
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
279963 (current)	2022-12-21	cif/ Adding structures of 1568137 via cif-deposit CGI script.	1568137.cif