Crystallography Open Database

Information card for entry 3000012

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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	6.0117 ± 0.0004 Å
b	6.0117 ± 0.0004 Å
c	14.6215 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	457.63 ± 0.05 Å³
Cell temperature	870 K
Ambient diffraction temperature	870 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	3.21
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
301810 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 3/ Each referenced PubChem compound corresponds to the full crystal structure.	3000012.cif
176718	2016-02-18	cif/ (antanas@echidna.ibt.lt) Setting svn:keywords property for entries in range 3.	3000012.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.	3000012.cif
120069	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs of the released structures in range 3.	3000012.cif
88474	2013-09-19	cif/ Updating files of 3000012 Original log message: Releasing structure 3000012 into public domain as published material.	3000012.cif
88470	2013-09-19	cif/3/00/00/ Manually creating missing placeholders for prepublication files.	3000012.cif