Crystallography Open Database

Information card for entry 4115571

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Coordinates	4115571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O64 Si32
Calculated formula	O64 Si32
Title of publication	Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR
Authors of publication	Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	5453 - 5459
a	18.6277 ± 0.0013 Å
b	13.4777 ± 0.001 Å
c	7.6305 ± 0.0006 Å
α	90°
β	101.927 ± 0.003°
γ	90°
Cell volume	1874.3 ± 0.2 Å³
Cell temperature	340 ± 2 K
Ambient diffraction temperature	340 ± 2 K
Number of distinct elements	2
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	0.6944 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178926 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/55.	4115571.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115571.cif
69163	2012-12-03	cif/ Adding structures of 4115571 via cif-deposit CGI script.	4115571.cif