Crystallography Open Database

Information card for entry 2239708

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Structure parameters

Chemical name	Tetrapotassium tetra[nickel(II)/iron(III)] pentakis(orthophosphate)
Formula	Fe3.19 K3.84 Ni0.78 O20 P5
Calculated formula	Fe3.196 K3.84 Ni0.784 O20 P5
Title of publication	The solid solution K~3.84~Ni~0.78~Fe~3.19~(PO~4~)~5~
Authors of publication	Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Livitska, Oksana V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	7
Pages of publication	i39 - i40
a	9.6622 ± 0.0006 Å
b	9.6622 ± 0.0006 Å
c	9.38 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	875.7 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181897 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97.	2239708.cif 2239708.hkl
181316	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/97.	2239708.cif 2239708.hkl
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2239708.cif 2239708.hkl
118145	2014-06-26	cif/ hkl/ Adding structures of 2239708 via cif-deposit CGI script.	2239708.cif 2239708.hkl