Crystallography Open Database

Information card for entry 4117781

Preview

Coordinates	4117781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba23 Ga8 S38 Sb2
Calculated formula	Ba23 Ga8 S38 Sb2
Title of publication	Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38
Authors of publication	Mei-Chun Chen; Li-Ming Wu; Hua Lin; Liu-Jiang Zhou; Ling Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6058 - 6060
a	9.611 ± 0.003 Å
b	32.246 ± 0.01 Å
c	12.883 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3993 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0167
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.0377
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
178948 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/77.	4117781.cif
74906	2013-03-05	cif/ Adding structures of 4117781 via cif-deposit CGI script.	4117781.cif