Crystallography Open Database

Information card for entry 4305272

Preview

Coordinates	4305272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K3 Nd3 P4 S16
Calculated formula	K3 Nd3 P4 S16
Title of publication	Syntheses, Structures, and Spectroscopic Properties of K9Nd[PS4]4, K3Nd[PS4]2, Cs3Nd[PS4]2, and K3Nd3[PS4]4
Authors of publication	Yuandong Wu; Wolfgang Bensch
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7523 - 7534
a	16.1496 ± 0.0014 Å
b	11.6357 ± 0.0007 Å
c	14.6784 ± 0.0011 Å
α	90°
β	90.396 ± 0.01°
γ	90°
Cell volume	2758.2 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305272.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305272.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305272.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305272.cif