Crystallography Open Database

Information card for entry 7020840

7020839 << 7020840 >> 7020841

Preview

Coordinates	7020840.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	7.34 ± 0.007 Å
b	7.34 ± 0.007 Å
c	6.865 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	369.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Cell measurement pressure	1760000 kPa
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7020840.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020840.cif
73681	2013-02-21	cif/ Adding structures of 7020834, 7020835, 7020836, 7020837, 7020838, 7020839, 7020840, 7020841, 7020842 via cif-deposit CGI script.	7020840.cif