Crystallography Open Database

Information card for entry 4102275

Preview

Coordinates	4102275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	P Rb S6 Zr
Calculated formula	P Rb S6 Zr
Title of publication	Room Temperature Light Emission from the Low-Dimensional Semiconductors AZrPS6 (A = K, Rb, Cs)
Authors of publication	Santanu Banerjee; Jodi M. Szarko; Benjamin D. Yuhas; Christos D. Malliakas; Lin X. Chen; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5348 - 5350
a	3.5979 ± 0.0019 Å
b	9.064 ± 0.005 Å
c	14.452 ± 0.008 Å
α	75.267 ± 0.013°
β	83.602 ± 0.009°
γ	87.354 ± 0.009°
Cell volume	452.9 ± 0.4 Å³
Ambient diffraction temperature	298 ± 3 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.1786
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for significantly intense reflections	1.71
Goodness-of-fit parameter for all reflections included in the refinement	1.62
Diffraction radiation wavelength	0.4428 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4102275.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102275.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102275.cif
25133	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102275 via cif-deposit CGI script.	4102275.cif