Crystallography Open Database

Information card for entry 7241879

Preview

Coordinates	7241879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H10 Ni O15 S1.85 Se0.15 U
Calculated formula	H10 Ni O15 S1.852 Se0.148 U
Title of publication	Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
Authors of publication	Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	5
Pages of publication	1140 - 1148
a	12.7808 ± 0.0003 Å
b	8.2806 ± 0.0002 Å
c	11.3074 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1196.69 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262567 (current)	2021-03-05	cif/ Updating files of 7241870, 7241871, 7241872, 7241873, 7241874, 7241875, 7241876, 7241877, 7241878, 7241879, 7241880, 7241881, 7241882, 7241883 Original log message: Adding full bibliography for 7241870--7241883.cif.	7241879.cif
259864	2020-12-13	cif/ Adding structures of 7241870, 7241871, 7241872, 7241873, 7241874, 7241875, 7241876, 7241877, 7241878, 7241879, 7241880, 7241881, 7241882, 7241883 via cif-deposit CGI script.	7241879.cif