Crystallography Open Database

Information card for entry 7218107

Preview

Coordinates	7218107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ba Ga H3 O10
Calculated formula	B4 Ba Ga H3 O10
Title of publication	β-BaGa[B4O8(OH)](H2O) and Ba4Ga[B10O18(OH)5](H2O): New Barium Galloborates Featuring Unusual [B4O8(OH)]5- and [B10O18(OH)5]11- Clusters
Authors of publication	Yang, Hui; Hu, Chun-Li; Song, Junling; Mao, Jianggao
Journal of publication	RSC Adv.
Year of publication	2014
a	7.0811 ± 0.0006 Å
b	7.1144 ± 0.0007 Å
c	9.8431 ± 0.0008 Å
α	106.946 ± 0.008°
β	91.245 ± 0.007°
γ	119.145 ± 0.009°
Cell volume	406.26 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0425
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218107.cif
123737	2014-09-12	cif/ Adding structures of 7218107, 7218108 via cif-deposit CGI script.	7218107.cif