Crystallography Open Database

Information card for entry 4001272

Preview

Coordinates	4001272.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	8.4 Angstrom phase
Formula	Cl2 O13 Yb4
Calculated formula	Cl2 O13 Yb4
Title of publication	Synthesis and Crystal Structures of New Lanthanide Hydroxyhalide Anion Exchange Materials, Ln2(OH)5X·1.5H2O (X = Cl, Br; Ln = Y, Dy, Er, Yb)
Authors of publication	Poudret, Leslie; Prior, Timothy J.; McIntyre, Laura J.; Fogg, Andrew M.
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	24
Pages of publication	7447
a	12.5108 ± 0.001 Å
b	8.393 ± 0.0013 Å
c	7.0438 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	739.62 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.6943 Å
Diffraction radiation type	synchrotron
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.	4001272.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001272.cif
41957	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001272 via cif-deposit CGI script.	4001272.cif