Crystallography Open Database

Information card for entry 4314498

Preview

Coordinates	4314498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H42 Hf2 K10.5 O103 Rb1.5 Si2 W22
Calculated formula	Hf2 K10.5 O103 Rb1.5 Si2 W22
Title of publication	Peroxo-Zr/Hf-Containing Undecatungstosilicates and -Germanates
Authors of publication	Sib Sankar Mal; Nadeen H. Nsouli; Mauro Carraro; Andrea Sartorel; Gianfranco Scorrano; Holger Oelrich; Lorenz Walder; Marcella Bonchio; Ulrich Kortz
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7 - 9
a	11.5111 ± 0.0006 Å
b	12.5996 ± 0.0007 Å
c	19.0734 ± 0.0009 Å
α	91.487 ± 0.003°
β	92.993 ± 0.003°
γ	103.241 ± 0.003°
Cell volume	2687.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4314498.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314498.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314498.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314498.cif
7625	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314498 via cif-deposit CGI script.	4314498.cif