Crystallography Open Database

Information card for entry 8103031

Preview

Coordinates	8103031.cif

Structure parameters

Chemical name	Ammonium Tetrairon Tris(phosphate(V))
Formula	Fe4 H4 N O12 P3
Calculated formula	Fe4 H4 N O12 P3
Title of publication	Crystal structure of ammonium tetrairon trisphosphate(V), [NH4][Fe4(PO4)3]
Authors of publication	Kazumasa Sugiyama; Makoto Kimiyama
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	369
a	9.8002 ± 0.0006 Å
b	16.6223 ± 0.0009 Å
c	6.3008 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1026.41 ± 0.11 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103031.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103031.cif
13770	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103031 via cif-deposit CGI script.	8103031.cif