Crystallography Open Database

Information card for entry 7242663

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Coordinates	7242663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe5 Mo7 O28 Rb
Calculated formula	Fe5 Mo7 O28 Rb
Title of publication	The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion
Authors of publication	Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	18
Pages of publication	3297 - 3307
a	6.8987 ± 0.0004 Å
b	21.2912 ± 0.0012 Å
c	8.6833 ± 0.0005 Å
α	90°
β	102.19 ± 0.0018°
γ	90°
Cell volume	1246.66 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0336
Weighted residual factors for all reflections included in the refinement	0.0345
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
265986 (current)	2021-06-05	cif/ Updating files of 7242663 Original log message: Adding full bibliography for 7242663.cif.	7242663.cif
264223	2021-04-16	cif/ Adding structures of 7242663 via cif-deposit CGI script.	7242663.cif