Crystallography Open Database

Information card for entry 7249886

Preview

Coordinates	7249886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F0 La4.178 Mo3 Na0.822 O16.049
Calculated formula	La4.174 Mo3 Na0.826 O16.045
Title of publication	Structural features of sodium- and halogen-containing fluorite-like rare-earth molybdates.
Authors of publication	Antipin, Alexander M.; Orlova, Ekaterina I.; Smirnova, Ekaterina S.; Trukhacheva, Maria P.; Sorokin, Timofei A.; Sidorova, Ekaterina V.; Kharitonova, Elena P.; Lyskov, Nikolay V.; Novikova, Natalia E.; Yapaskurt, Vasiliy O.; Sorokina, Natalia I.; Alekseeva, Olga A.; Voronkova, Valentina I.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2025
a	11.2426 ± 0.0001 Å
b	11.2426 ± 0.0001 Å
c	11.2426 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1421.02 ± 0.02 Å³
Cell temperature	292.9 ± 0.3 K
Ambient diffraction temperature	292.9 K
Number of distinct elements	5
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :1
Hall space group symbol	P 4 2 3 -1n
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for significantly intense reflections	1
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
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
297585 (current)	2025-02-04	cif/ Adding structures of 7249886, 7249887, 7249888, 7249889, 7249890 via cif-deposit CGI script.	7249886.cif