Crystallography Open Database

Information card for entry 7127079

Preview

Coordinates	7127079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd F I O3
Calculated formula	Cd F I O3
Title of publication	From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d<sup>10</sup>-transition metal iodate fluorides.
Authors of publication	Cao, Liling; Luo, Min; Lin, Chensheng; Zhou, Yuqiao; Zhao, Dan; Yan, Tao; Ye, Ning
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	73
Pages of publication	10734 - 10737
a	5.5051 ± 0.0004 Å
b	5.7913 ± 0.0004 Å
c	10.9326 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	348.55 ± 0.04 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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