Crystallography Open Database

Information card for entry 8102890

Preview

Coordinates	8102890.cif

Structure parameters

Chemical name	tetrapotassium hexaselenidohypodiphosphate
Formula	K4 P2 Se6
Calculated formula	K4 P2 Se6
SMILES	[Se]=P([Se-])([Se-])P(=[Se])([Se-])[Se-].[K+].[K+].[K+].[K+]
Title of publication	Crystal structure of tetrapotassium hexaselenidohypodiphosphate, K~4~P~2~Se~6~
Authors of publication	B. C. Chan; P. L. Feng; Z. Hulvey; P. K. Dorhout
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	1
Pages of publication	9 - 10
a	13.6637 ± 0.001 Å
b	12.3993 ± 0.0009 Å
c	8.7631 ± 0.0007 Å
α	90°
β	91.267 ± 0.001°
γ	90°
Cell volume	1484.28 ± 0.19 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.313
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
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.	8102890.cif
107925	2014-03-23	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102890.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102890.cif
13629	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102890 via cif-deposit CGI script.	8102890.cif