Crystallography Open Database

Information card for entry 1516309

Preview

Coordinates	1516309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H14 F N O20 Si10
Calculated formula	C7 F N O20 Si10
Title of publication	Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure
Authors of publication	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2010
Journal volume	114
Journal issue	14
Pages of publication	6726
a	9.1827 ± 0.0004 Å
b	9.1827 ± 0.0004 Å
c	13.3572 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1126.31 ± 0.1 Å³
Cell temperature	350 ± 2 K
Ambient diffraction temperature	350 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516309.cif
114512	2014-05-24	cif/ Adding structures of 1516309 via cif-deposit CGI script.	1516309.cif