Crystallography Open Database

Information card for entry 4001535

Preview

Coordinates	4001535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi0.597 Ca0.403 Mn O3
Calculated formula	Bi0.5965 Ca0.4035 Mn O3
Title of publication	Bi1-xCaxMnO3(x= 0.4 and 0.45): X-ray Single-Crystal and Electron Microscopy Study
Authors of publication	Giot, M.; Beran, P.; Pérez, O.; Malo, S.; Hervieu, M.; Raveau, B.; Nevriva, M.; Knizek, K.; Roussel, P.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	14
Pages of publication	3225
a	10.9717 Å
b	7.5778 Å
c	5.4103 Å
α	90°
β	90°
γ	90°
Cell volume	449.82 Å³
Cell temperature	150 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P n m 21
Hall space group symbol	P 2bc -2bc
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for significantly intense reflections	4.8
Goodness-of-fit parameter for all reflections included in the refinement	4.92
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001535.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001535.cif
47604	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001535 via cif-deposit CGI script.	4001535.cif