Crystallography Open Database

Information card for entry 4001940

4001939 << 4001940 >> 4001941

Preview

Coordinates	4001940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca Mn O6 Ti2
Calculated formula	Ca Mn O6 Ti2
Title of publication	High-Pressure Synthesis ofA-Site Ordered Double Perovskite CaMnTi2O6and Ferroelectricity Driven by Coupling ofA-Site Ordering and the Second-Order Jahn‒Teller Effect
Authors of publication	Aimi, Akihisa; Mori, Daisuke; Hiraki, Ko-ichi; Takahashi, Toshihiro; Shan, Yue Jin; Shirako, Yuichi; Zhou, Jianshi; Inaguma, Yoshiyuki
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	8
Pages of publication	2601
a	7.5376 ± 0.0007 Å
b	7.5376 ± 0.0007 Å
c	7.6002 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	431.81 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	105
Hermann-Mauguin space group symbol	P 42 m c
Hall space group symbol	P 4c -2
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.279
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.	4001940.cif
112704	2014-05-04	cif/ Updating files of 4001940 Original log message: Adding full bibliography for 4001940.cif.	4001940.cif
109131	2014-04-09	cif/ Adding structures of 4001940 via cif-deposit CGI script.	4001940.cif