Crystallography Open Database

Information card for entry 1566234

Preview

Coordinates	1566234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca0.458 Mo0.8 O8.315 U1.2
Calculated formula	Ca0.4 Mo0.8 O9.4 U1.2
Title of publication	Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)3(MoO4)2(OH)4](H2O)5 : insights from a precession electron-diffraction tomography study
Authors of publication	Gwladys Steciuk; Radek Skoda; Jan Rohlicek; Jakub Plasil
Journal of publication	Journal of GeoSciences
Year of publication	2020
Journal volume	65
Pages of publication	15 - 25
a	3.9375 Å
b	11.2613 Å
c	14.195 Å
α	84.4274°
β	112.499°
γ	133.944°
Cell volume	405.053 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.6806
Residual factor for significantly intense reflections	0.3825
Weighted residual factors for significantly intense reflections	0.3834
Weighted residual factors for all reflections included in the refinement	0.3919
Goodness-of-fit parameter for significantly intense reflections	12.59
Goodness-of-fit parameter for all reflections included in the refinement	6.15
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0335 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272388 (current)	2022-02-01	cif/ Adding structures of 1566234 via cif-deposit CGI script.	1566234.cif