Crystallography Open Database

Information card for entry 4000781

Preview

Coordinates	4000781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi0.95 Mn7 O12
Calculated formula	Bi0.947 Mn7 O12
Title of publication	Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12
Authors of publication	Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	16
Pages of publication	3628
a	6.4774 ± 0.0016 Å
b	6.4774 ± 0.0016 Å
c	6.4774 ± 0.0016 Å
α	109.57 ± 0.03°
β	109.57 ± 0.03°
γ	109.57 ± 0.03°
Cell volume	208.44 ± 0.16 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
Space group number	146
Hermann-Mauguin space group symbol	R 3 :R
Hall space group symbol	P 3*
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000781.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000781.cif
34951	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000781 via cif-deposit CGI script.	4000781.cif