Crystallography Open Database

Information card for entry 4345366

Preview

Coordinates	4345366.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LiNaU20P12
Chemical name	U-P cluster
Formula	Li6 Na18 O188 P12 S U20
Calculated formula	Li6 Na18 O188 P12 S U20
Title of publication	Sulfate-Centered Sodium-Icosahedron-Templated Uranyl Peroxide Phosphate Cages with Uranyl Bridged by μ-η(1):η(2) Peroxide.
Authors of publication	Qiu, Jie; Spano, Tyler L.; Dembowski, Mateusz; Kokot, Alex M.; Szymanowski, Jennifer E. S.; Burns, Peter C.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1874 - 1880
a	17.839 ± 0.003 Å
b	18.37 ± 0.003 Å
c	27.655 ± 0.004 Å
α	90°
β	91.9724 ± 0.0017°
γ	90°
Cell volume	9057 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
192933 (current)	2017-03-04	cif/ Adding structures of 4345365, 4345366 via cif-deposit CGI script.	4345366.cif