Crystallography Open Database

Information card for entry 7216053

Preview

Coordinates	7216053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ba Ga H3 O10
Calculated formula	B4 Ba Ga H3 O10
Title of publication	Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers
Authors of publication	Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	25
Pages of publication	5689
a	7.108 ± 0.0014 Å
b	7.1372 ± 0.0012 Å
c	9.878 ± 0.003 Å
α	106.885 ± 0.017°
β	91.569 ± 0.017°
γ	119.185 ± 0.011°
Cell volume	409.99 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216053.cif
116170	2014-06-07	cif/ Updating files of 7216052, 7216053 Original log message: Adding full bibliography for 7216052--7216053.cif.	7216053.cif
114136	2014-05-22	cif/ Adding structures of 7216052, 7216053 via cif-deposit CGI script.	7216053.cif