Crystallography Open Database

Information card for entry 8103183

Preview

Coordinates	8103183.cif

Structure parameters

Formula	Nd P Pd
Calculated formula	Nd0.0833333 P0.0833333 Pd0.0833333
Title of publication	Refinement of the crystal structure of neodymium palladium phosphide, NdPdP
Authors of publication	Volodymyr Babizhetskyy; Stepan Oryshchyn; Olga Zhak; Oleg Lysyy; Arndt Simon
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	1
a	4.206 ± 0.001 Å
b	4.206 ± 0.001 Å
c	7.653 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	117.25 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.56086 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103183.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103183.cif
29197	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103183 via cif-deposit CGI script.	8103183.cif