Crystallography Open Database

Information card for entry 2241517

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Structure parameters

Chemical name	Sodium (sodium,manganese) triiron(II,III) tris[vanadate(V)]
Formula	Fe3 Mn0.3 Na1.4 O12 V3
Calculated formula	Fe3 Mn0.3 Na1.4 O12 V3
Title of publication	Crystal structure of (Na~0.70~)(Na~0.70~,Mn~0.30~)(Fe^3+^,Fe^2+^)~2~Fe^2+^(VO~4~)~3~, a sodium-, iron- and manganese-based vanadate with the alluaudite-type structure
Authors of publication	Benhsina, Elhassan; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	220 - 222
a	11.9512 ± 0.0005 Å
b	12.9022 ± 0.0005 Å
c	6.7756 ± 0.0003 Å
α	90°
β	111.678 ± 0.001°
γ	90°
Cell volume	970.88 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181916 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15.	2241517.cif 2241517.hkl
174795	2016-01-23	cif/ hkl/ Adding structures of 2241517 via cif-deposit CGI script.	2241517.cif 2241517.hkl