Crystallography Open Database

Information card for entry 4001569

Preview

Coordinates	4001569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs0.75 Fe1.08 K0 Na0.64 O6.15 P1.54
Calculated formula	Cs0.748154 Fe1.07692 Na0.636462 O6.15385 P1.53846
Title of publication	Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate
Authors of publication	Becht, Greg; Hwu, Shiou-Jyh
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	18
Pages of publication	4221
a	13.744 ± 0.003 Å
b	16.502 ± 0.003 Å
c	9.807 ± 0.002 Å
α	90°
β	109.97 ± 0.03°
γ	90°
Cell volume	2090.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1331
Residual factor for significantly intense reflections	0.1156
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.22
Goodness-of-fit parameter for all reflections included in the refinement	1.216
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001569.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001569.cif
47634	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001567, 4001568, 4001569, 4001570, 4001571, 4001572 via cif-deposit CGI script.	4001569.cif