Crystallography Open Database

Information card for entry 4117407

Preview

Coordinates	4117407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In Pr4 S9 Sb
Calculated formula	In Pr4 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	10.1042 ± 0.0016 Å
b	10.1042 ± 0.0016 Å
c	27.907 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2849.2 ± 0.9 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	0.0187
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0336
Weighted residual factors for all reflections included in the refinement	0.0349
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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.	4117407.cif
74484	2013-02-27	cif/ Adding structures of 4117407 via cif-deposit CGI script.	4117407.cif