Crystallography Open Database

Information card for entry 7716181

Preview

Coordinates	7716181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 F6 Ga2 I O7 P
Calculated formula	Ba2 F6 Ga2 I O7 P
Title of publication	Ba<sub>2</sub>Ga<sub>2</sub>F<sub>6</sub>(IO<sub>3</sub>)(PO<sub>4</sub>): the first fluoride-containing iodate-phosphate with a 1D [Ga<sub>2</sub>F<sub>6</sub>(IO<sub>3</sub>)(PO<sub>4</sub>)]<sup>4-</sup> helix chain.
Authors of publication	Xu, Miao-Bin; Li, Jia-Jia; Wu, Huai-Yu; Ma, Nan; Yu, Ning; Zhuo, Mo-Fan; Chen, Jin; Du, Ke-Zhao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	25
Pages of publication	10536 - 10543
a	5.1525 ± 0.0005 Å
b	19.8591 ± 0.0017 Å
c	10.2293 ± 0.0012 Å
α	90°
β	91.095 ± 0.009°
γ	90°
Cell volume	1046.51 ± 0.18 Å³
Cell temperature	291.4 ± 0.7 K
Ambient diffraction temperature	291.4 ± 0.7 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
293071 (current)	2024-07-05	cif/ Updating files of 7716181 Original log message: Adding full bibliography for 7716181.cif.	7716181.cif
292074	2024-05-29	cif/ Adding structures of 7716181 via cif-deposit CGI script.	7716181.cif