Crystallography Open Database

Information card for entry 7707174

Preview

Coordinates	7707174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F O15 Pb2 Se3 V3
Calculated formula	F O15 Pb2 Se3 V3
Title of publication	First chiral fluorinated lead vanadate selenite Pb<sub>2</sub>(V<sub>2</sub>O<sub>4</sub>F)(VO<sub>2</sub>)(SeO<sub>3</sub>)<sub>3</sub> with five asymmetric motifs and large optical properties.
Authors of publication	Lin, Lin; Jiang, Xingxing; Wu, Chao; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	21
Pages of publication	7238 - 7245
a	5.2548 ± 0.0002 Å
b	12.0864 ± 0.0005 Å
c	21.0937 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1339.69 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0465
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
266102 (current)	2021-06-05	cif/ Updating files of 7707174 Original log message: Adding full bibliography for 7707174.cif.	7707174.cif
264436	2021-04-23	cif/ Adding structures of 7707174 via cif-deposit CGI script.	7707174.cif