Crystallography Open Database

Information card for entry 7127078

Preview

Coordinates	7127078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F I O3 Zn
Calculated formula	F I O3 Zn
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	5.0197 ± 0.0004 Å
b	5.2136 ± 0.0004 Å
c	12.4572 ± 0.001 Å
α	90°
β	95.943 ± 0.003°
γ	90°
Cell volume	324.26 ± 0.04 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0233
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.29
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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