Crystallography Open Database

Information card for entry 4118668

Preview

Coordinates	4118668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cr H12 N3 O8
Calculated formula	Cr H12 N3 O8
SMILES	[NH4+].[NH4+].O1O[Cr]2341(OO2)(OO3)OO4.[NH4+]
Title of publication	Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution
Authors of publication	Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15953 - 15962
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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