Crystallography Open Database

Information card for entry 1573059

Preview

Coordinates	1573059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Ga2 O9 Te3
Calculated formula	Br Ga2 O9 Te3
Title of publication	Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Authors of publication	Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	47
Pages of publication	19920 - 19927
a	16.0138 ± 0.0004 Å
b	7.0036 ± 0.0002 Å
c	8.4023 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	942.35 ± 0.04 Å³
Cell temperature	297.99 ± 0.1 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
296346 (current)	2024-12-06	cif/ Updating files of 1573058, 1573059, 1573060, 1573061, 1573062, 1573063 Original log message: Adding full bibliography for 1573058--1573063.cif.	1573059.cif
295781	2024-11-06	cif/ Adding structures of 1573058, 1573059, 1573060, 1573061, 1573062, 1573063 via cif-deposit CGI script.	1573059.cif