Crystallography Open Database

Information card for entry 4305271

Preview

Coordinates	4305271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs3 Nd P2 S8
Calculated formula	Cs3 Nd P2 S8
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	15.3641 ± 0.0013 Å
b	6.8865 ± 0.0004 Å
c	15.3902 ± 0.0013 Å
α	90°
β	99.19 ± 0.01°
γ	90°
Cell volume	1607.5 ± 0.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0911
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.	4305271.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305271.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305271.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305271.cif