Crystallography Open Database

Information card for entry 7700195

Preview

Coordinates	7700195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi I4 Na O12
Calculated formula	Bi I4 Na O12
Title of publication	KBi(IO<sub>3</sub>)<sub>3</sub>(OH) and NaBi(IO<sub>3</sub>)<sub>4</sub>: from the centrosymmetric chain to a noncentrosymmetric double layer.
Authors of publication	Jia, Ying-Jie; Chen, Yi-Gang; Wang, Ting; Guo, Yao; Guan, Xiao-Fang; Zhang, Xian-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	27
Pages of publication	10320 - 10326
a	31.5437 ± 0.0019 Å
b	5.6122 ± 0.0003 Å
c	12.7289 ± 0.0008 Å
α	90°
β	90.7346 ± 0.0012°
γ	90°
Cell volume	2253.2 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223860 (current)	2019-11-07	cif/ Updating files of 7700195, 7700196 Original log message: Adding full bibliography for 7700195--7700196.cif.	7700195.cif
215737	2019-06-07	cif/ Adding structures of 7700195, 7700196 via cif-deposit CGI script.	7700195.cif