Crystallography Open Database

Information card for entry 4313791

Preview

Coordinates	4313791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd Cs Se3 Sm
Calculated formula	Cd Cs Se3 Sm
Title of publication	The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)
Authors of publication	Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4109 - 4116
a	4.2995 ± 0.0004 Å
b	15.7793 ± 0.0015 Å
c	11.201 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	759.91 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179202 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/37.	4313791.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313791.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313791.cif
6861	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313791 via cif-deposit CGI script.	4313791.cif