Crystallography Open Database

Information card for entry 1571399

Preview

Coordinates	1571399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F6 O3 Pb2 Se Si
Calculated formula	F6 O3 Pb2 Se Si
SMILES	[Si](F)(F)(F)(F)([F-])[F-].[Se](=O)([O-])[O-].[Pb+2].[Pb+2]
Title of publication	Pb<sub>2</sub>(SeO<sub>3</sub>)(SiF<sub>6</sub>): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.
Authors of publication	Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	19
Pages of publication	7104 - 7110
a	13.8153 ± 0.0004 Å
b	5.447 ± 0.0002 Å
c	9.6098 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	723.16 ± 0.04 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
292885 (current)	2024-07-05	cif/ Updating files of 1571399 Original log message: Adding full bibliography for 1571399.cif.	1571399.cif
291097	2024-04-06	cif/ Adding structures of 1571399 via cif-deposit CGI script.	1571399.cif