Crystallography Open Database

Information card for entry 8103035

Preview

Coordinates	8103035.cif

Structure parameters

Formula	P1.4 S0.6 Zr
Calculated formula	P1.4 S0.6 Zr
Title of publication	Crystal structure of zirconium phosphide sulphide, ZrP1.4S0.6
Authors of publication	Andreas Schlechte; Katrin Meier; Rainer Niewa; Yurii Prots; Marcus Schmidt; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	375
a	3.5854 ± 0.0002 Å
b	3.5854 ± 0.0002 Å
c	7.8195 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	100.52 ± 0.01 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.033
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103035.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103035.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103035.cif
13774	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103035 via cif-deposit CGI script.	8103035.cif