Crystallography Open Database

Information card for entry 7705275

Preview

Coordinates	7705275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br F2 Ga O6 Pb2 Se2
Calculated formula	Br F2 Ga O6 Pb2 Se2
Title of publication	Selenite bromide nonlinear optical materials Pb<sub>2</sub>GaF<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br and Pb<sub>2</sub>NbO<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Br: synthesis and characterization.
Authors of publication	Zhao, Huanke; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	40
Pages of publication	14046 - 14051
a	8.3926 ± 0.0006 Å
b	5.4095 ± 0.0003 Å
c	10.6751 ± 0.0008 Å
α	90°
β	111.049 ± 0.008°
γ	90°
Cell volume	452.31 ± 0.06 Å³
Cell temperature	288 ± 11 K
Ambient diffraction temperature	288 ± 11 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
258840 (current)	2020-11-06	cif/ Updating files of 7705275, 7705276 Original log message: Adding full bibliography for 7705275--7705276.cif.	7705275.cif
255649	2020-08-26	cif/ Adding structures of 7705275, 7705276 via cif-deposit CGI script.	7705275.cif