Crystallography Open Database

Information card for entry 7205749

7205748 << 7205749 >> 7205750

Preview

Coordinates	7205749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Br K3 O10
Calculated formula	B6 Br K3 O10
Title of publication	Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br
Authors of publication	Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2899
a	10.1153 ± 0.0008 Å
b	10.1153 ± 0.0008 Å
c	8.8592 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	785.02 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
180388 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/57.	7205749.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205749.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205749.cif
21002	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205749 via cif-deposit CGI script.	7205749.cif