Crystallography Open Database

Information card for entry 7249887

Preview

Coordinates	7249887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl0.652 F0 La4.192 Mo3 Na0.808 O15.288
Calculated formula	Cl0.65125 La4.1922 Mo3 Na0.8078 O15.2884
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	11.2895 ± 0.0011 Å
b	11.2895 ± 0.0011 Å
c	11.2895 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1438.9 ± 0.2 Å³
Cell temperature	600 ± 0.14 K
Ambient diffraction temperature	600 K
Number of distinct elements	6
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	0.0295
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for significantly intense reflections	1.3901
Goodness-of-fit parameter for all reflections included in the refinement	1.4425
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.	7249887.cif