Crystallography Open Database

Information card for entry 4105791

Preview

Coordinates	4105791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cr H12 N3 O8
Calculated formula	Cr H12 N3 O8
SMILES	[NH4+].[NH4+].[O]1O[Cr]2341(OO2)(OO3)OO4.[NH4+]
Title of publication	M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics
Authors of publication	Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	3792 - 3795
a	9.8893 ± 0.0012 Å
b	9.889 Å
c	8.0326 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	785.55 ± 0.14 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.269
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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