Crystallography Open Database

Information card for entry 7249889

Preview

Coordinates	7249889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl0 La4.2 Mo3 Na0.8 O15.981
Calculated formula	La4.1922 Mo3 Na0.8078 O16
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	11.2466 ± 0.0011 Å
b	11.2466 ± 0.0011 Å
c	11.2466 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1422.5 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0251
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for significantly intense reflections	1.2414
Goodness-of-fit parameter for all reflections included in the refinement	1.3468
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.	7249889.cif