Crystallography Open Database

Information card for entry 4508222

Preview

Coordinates	4508222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge0.2172 O Si0.2827
Calculated formula	Ge0.21723 O Si0.28283
Title of publication	Disorder in Extra-Large Pore Zeolite ITQ-33 Revealed by Single Crystal XRD
Authors of publication	Liu, Leifeng; Yu, Zheng-Bao; Chen, Hong; Deng, Youqian; Lee, Bao-Lin; Sun, Junliang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4168
a	19.3095 ± 0.0004 Å
b	19.3095 ± 0.0004 Å
c	11.513 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	3717.59 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.2219
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.233
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	4508222.cif
88945	2013-10-09	cif/ Adding structures of 4508222 via cif-deposit CGI script.	4508222.cif