Crystallography Open Database

Information card for entry 4001571

Preview

Coordinates	4001571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs8.5 Fe14 K5.71 O80 P20 Rb3.79
Calculated formula	Cs8.508 Fe14 K5.712 O80 P20 Rb3.78
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	13.901 ± 0.003 Å
b	16.392 ± 0.003 Å
c	9.827 ± 0.002 Å
α	90°
β	110.49 ± 0.03°
γ	90°
Cell volume	2097.6 ± 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	0.0982
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001571.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001571.cif
47634	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001567, 4001568, 4001569, 4001570, 4001571, 4001572 via cif-deposit CGI script.	4001571.cif