Crystallography Open Database

Information card for entry 7020838

7020837 << 7020838 >> 7020839

Preview

Coordinates	7020838.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PotassiumDihydrogenPhosphate
Formula	H2 K O4 P
Calculated formula	H2 K O4 P
Title of publication	Structure of the high-pressure phase IV of KH2PO4 (KDP).
Authors of publication	Cai, Weizhao; Katrusiak, Andrzej
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	4
Pages of publication	863 - 866
a	14.384 ± 0.003 Å
b	4.449 ± 0.005 Å
c	18.305 ± 0.006 Å
α	90°
β	108.11 ± 0.02°
γ	90°
Cell volume	1113.4 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Cell measurement pressure	1620000 kPa
Number of distinct elements	4
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	0.0814
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1865
Weighted residual factors for all reflections included in the refinement	0.2004
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020838.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020838.cif
73681	2013-02-21	cif/ Adding structures of 7020834, 7020835, 7020836, 7020837, 7020838, 7020839, 7020840, 7020841, 7020842 via cif-deposit CGI script.	7020838.cif