Crystallography Open Database

Information card for entry 7208247

7208246 << 7208247 >> 7208248

Preview

Coordinates	7208247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B15 K6 Li3 O30 Sc2
Calculated formula	B15 K6 Li2.996 O30 Sc2
Title of publication	K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge
Authors of publication	Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	5209
a	12.7186 ± 0.0018 Å
b	12.7186 ± 0.0018 Å
c	14.914 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2089.3 ± 0.6 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.399
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
180413 (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 7/20/82.	7208247.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208247.cif
64234	2012-08-11	cif/ Adding structures of 7208247 via cif-deposit CGI script.	7208247.cif