Crystallography Open Database

Information card for entry 3000011

Preview

Coordinates	3000011.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetrapotassium pyrophosphate
Formula	K4 O7 P2
Calculated formula	K4 O7 P2
SMILES	O=P(OP(=O)([O-])[O-])([O-])[O-].[K+].[K+].[K+].[K+]
Title of publication	Tetrapotassium pyrophosphates gamma and delta-K4P2O7
Authors of publication	Armel Le Bail; Thomas Hansen; Wilson A. Crichton
Journal of publication	Powder Diffraction
Year of publication	2013
Journal volume	28
Pages of publication	2 - 12
a	5.9645 ± 0.0003 Å
b	5.9645 ± 0.0003 Å
c	14.4972 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	446.65 ± 0.04 Å³
Cell temperature	570 K
Ambient diffraction temperature	570 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 R(I) for significantly intense reflections	3.19
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176718 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Setting svn:keywords property for entries in range 3.	3000011.cif
176668	2016-02-18	cif/3/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in entries 3000010, 3000011, 3000012, 3500008, 3500010, 3500022.	3000011.cif
120069	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs of the released structures in range 3.	3000011.cif
88473	2013-09-19	cif/ Updating files of 3000011 Original log message: Releasing structure 3000011 into public domain as published material.	3000011.cif
88470	2013-09-19	cif/3/00/00/ Manually creating missing placeholders for prepublication files.	3000011.cif