Crystallography Open Database

Information card for entry 4001537

Preview

Coordinates	4001537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 Ga6 H5.1 O27.55 P6
Calculated formula	Cs2 Ga6 H2 O27.549 P6
Title of publication	Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure
Authors of publication	Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	12
Pages of publication	2895
a	10.219 ± 0.0004 Å
b	13.9566 ± 0.0015 Å
c	17.26 ± 0.002 Å
α	90°
β	90.193 ± 0.005°
γ	90°
Cell volume	2461.7 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for significantly intense reflections	1.33
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
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.	4001537.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001537.cif
47606	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001537, 4001538 via cif-deposit CGI script.	4001537.cif