Crystallography Open Database

Information card for entry 7123012

Preview

Coordinates	7123012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co Mn2 O6 Re
Calculated formula	Co Mn2 O6 Re
Title of publication	Mn2CoReO6: A Robust Multisublattice Antiferromagnetic Perovskite with Small A-Site Cations
Authors of publication	Frank , Corey E.; McCabe, Emma; Orlandi, Fabio; Manuel, Pascal; Tan, Xiaoyan; Deng, Zheng; Croft, Mark; Cascos, Vanessa Amelia; Emge, Thomas J.; Feng, Hai; Lapidus, Saul H.; Jin, Changqing; Wu, Meixia; Li, Man-Rong; Ehrlich, Steven N.; Khalid, Syed; Quackenbush, Nicholas F.; Yu, Shuang; Walker, David; Greenblatt, Martha
Journal of publication	Chemical Communications
Year of publication	2019
a	5.2356 ± 0.0002 Å
b	5.3536 ± 0.0002 Å
c	7.633 ± 0.0003 Å
α	90°
β	89.9627 ± 0.0019°
γ	90°
Cell volume	213.948 ± 0.014 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	0.705
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213709 (current)	2019-02-20	cif/ Adding structures of 7123012 via cif-deposit CGI script.	7123012.cif