Crystallography Open Database

Information card for entry 4342856

Preview

Coordinates	4342856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K2 O15 Si6 U
Calculated formula	K2 O15 Si6 U
Title of publication	Flux Synthesis, Structure, Properties, and Theoretical Magnetic Study of Uranium(IV)-Containing A2USi6O15 (A = K, Rb) with an Intriguing Green-to-Purple, Crystal-to-Crystal Structural Transition in the K Analogue.
Authors of publication	Morrison, Gregory; Ramanantoanina, Harry; Urland, Werner; Smith, Mark D.; Zur Loye, Hans-Conrad
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	11
Pages of publication	5504 - 5511
a	7.2196 ± 0.0005 Å
b	12.0518 ± 0.0008 Å
c	17.1967 ± 0.0012 Å
α	99.514 ± 0.002°
β	91.002 ± 0.002°
γ	106.116 ± 0.002°
Cell volume	1414.52 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
138151 (current)	2015-06-05	cif/ Updating files of 4342855, 4342856, 4342857 Original log message: Adding full bibliography for 4342855--4342857.cif.	4342856.cif
136607	2015-05-16	cif/ Adding structures of 4342856 via cif-deposit CGI script.	4342856.cif