Crystallography Open Database

Information card for entry 4117408

Preview

Coordinates	4117408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In Nd4 S9 Sb
Calculated formula	In Nd4 S9 Sb
Title of publication	Strong Kleinman-Forbidden Second Harmonic Generation in Chiral Sulfide: La4InSbS9
Authors of publication	Hua-Jun Zhao; Yong-Fan Zhang; Ling Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1993 - 1995
a	10.0721 ± 0.0001 Å
b	10.0721 ± 0.0001 Å
c	27.8292 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2823.19 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
178945 (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 4/11/74.	4117408.cif
74485	2013-02-27	cif/ Adding structures of 4117408 via cif-deposit CGI script.	4117408.cif