Crystallography Open Database

Information card for entry 4335608

Preview

Coordinates	4335608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O12 Si5 Tl4
Calculated formula	O12 Si5 Tl4
Title of publication	Structural, Spectroscopic, and Computational Studies on Tl4Si5O12: A Microporous Thallium Silicate
Authors of publication	Volker Kahlenberg; Lukas Perfler; Jürgen Konzett; Peter Blaha
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8941 - 8949
a	9.2059 ± 0.0005 Å
b	11.5796 ± 0.0006 Å
c	13.0963 ± 0.0007 Å
α	90°
β	94.534 ± 0.005°
γ	90°
Cell volume	1391.71 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335608.cif
101543	2014-02-14	cif/ Adding structures of 4335608 via cif-deposit CGI script.	4335608.cif