Crystallography Open Database

Information card for entry 7062527

Preview

Coordinates	7062527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 O40.5 U11
Calculated formula	Ba2 O40.5 U11
Title of publication	Investigation of uranium oxide hydrates with barium(ii) ions: structural diversity, uranium valences and implications
Authors of publication	Lu, Kimbal T.; Zhang, Yingjie; Wei, Tao; Ablott, Timothy A.; Plášil, Jakub; Karatchevtseva, Inna; Zheng, Rongkun
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	28
Pages of publication	13286 - 13296
a	13.251 ± 0.003 Å
b	10.389 ± 0.002 Å
c	25.13 ± 0.005 Å
α	90°
β	90.33 ± 0.03°
γ	90°
Cell volume	3459.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71078 Å
Diffraction radiation type	silicondoublecrystalmonochromatedsynchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285479 (current)	2023-08-05	cif/ Updating files of 7062526, 7062527 Original log message: Adding full bibliography for 7062526--7062527.cif.	7062527.cif
284646	2023-06-29	cif/ Adding structures of 7062526, 7062527 via cif-deposit CGI script.	7062527.cif