Crystallography Open Database

Information card for entry 1573058

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Coordinates	1573058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br Ga O7 Te3
Calculated formula	Br Ga O7 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	10.8789 ± 0.0015 Å
b	7.2613 ± 0.0008 Å
c	10.8143 ± 0.0013 Å
α	90°
β	108.529 ± 0.013°
γ	90°
Cell volume	809.99 ± 0.18 Å³
Cell temperature	292.15 K
Ambient diffraction temperature	292.15 K
Number of distinct elements	4
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	0.0378
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0497
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

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