Crystallography Open Database

Information card for entry 3500022

Preview

Coordinates	3500022.cif
Structure factors	3500022.hkl

Structure parameters

Formula	F9 Fe H2 O Pb3
Calculated formula	F9 Fe H2 O Pb3
Title of publication	Crystal structure of Pb3FeF9.H2O
Authors of publication	Armel Le Bail
Journal of publication	Personal communication to COD
Year of publication	2015
a	5.754 ± 0.003 Å
b	5.939 ± 0.003 Å
c	12.786 ± 0.006 Å
α	98.28 ± 0.03°
β	94.04 ± 0.03°
γ	90.83 ± 0.03°
Cell volume	431.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1514
Residual factor for significantly intense reflections	0.0934
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181860 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7.	3500022.cif 3500022.hkl
180707	2016-04-02	hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3.	3500022.cif 3500022.hkl
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.	3500022.cif 3500022.hkl
132591	2015-03-02	cif/ hkl/ Adding structures of 3500022 via cif-deposit CGI script.	3500022.cif 3500022.hkl