Crystallography Open Database

Information card for entry 2241547

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Structure parameters

Common name	Brackebuschite
Chemical name	Dilead(II) manganese(III) vanadate(V) hydroxide
Formula	H Mn O9 Pb2 V2
Calculated formula	H Mn O9 Pb2 V2
SMILES	[Mn]12[O]([V](=O)([O-])[O-])[Mn]([O]1[V](=O)([O-])[O-])([OH]2)(O[V](=O)([O-])[O-])(O[V](=O)([O-])[O-])O.[Pb+2].[Pb+2].[Pb+2].[Pb+2]
Title of publication	Redetermination of brackebuschite, Pb~2~Mn^3+^(VO~4~)~2~(OH)
Authors of publication	Lafuente, Barbara; Downs, Robert T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	3
Pages of publication	293 - 296
a	7.6492 ± 0.0001 Å
b	6.1262 ± 0.0001 Å
c	8.9241 ± 0.0002 Å
α	90°
β	112.195 ± 0.001°
γ	90°
Cell volume	387.202 ± 0.012 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0303
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	2241547.cif 2241547.hkl
176361	2016-02-11	cif/ hkl/ Adding structures of 2241547 via cif-deposit CGI script.	2241547.cif 2241547.hkl