Crystallography Open Database

Information card for entry 8102896

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Coordinates	8102896.cif

Structure parameters

Chemical name	cesium lead tetrathiophosphate
Formula	Cs P Pb S4
Calculated formula	Cs P Pb S4
Title of publication	Crystal structure of cesium lead tetrathiophosphate, CsPbPS~4~
Authors of publication	I. Belkyal; M. El Azhari; Y.-D. Wu; W. Bensch; K.-F. Hesse; W. Depmeier
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	2
Pages of publication	127 - 128
a	18.1852 ± 0.001 Å
b	6.8085 ± 0.0005 Å
c	6.3518 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	786.44 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102896.cif
107927	2014-03-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102896.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102896.cif
13635	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102896 via cif-deposit CGI script.	8102896.cif