Crystallography Open Database

Information card for entry 1505047

Preview

Coordinates	1505047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca1.9 Mg0.17 O44.11 Si16
Calculated formula	Ca1.92 Mg0.168 O44.572 Si16
Title of publication	In Situ X-ray Single-Crystal Study on the Dehydration Mechanism in the Monoclinic Polytype of Tschernichite, the Mineral Analog of Zeolite Beta
Authors of publication	Alberti, A.; Cruciani, G.; Galli, E.; Millini, R.; Zanardi, S.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2007
Journal volume	111
Journal issue	12
Pages of publication	4503
a	17.982 ± 0.001 Å
b	17.985 ± 0.001 Å
c	14.619 ± 0.001 Å
α	90°
β	114.33 ± 0.01°
γ	90°
Cell volume	4308 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.201
Residual factor for significantly intense reflections	0.1381
Weighted residual factors for significantly intense reflections	0.3695
Weighted residual factors for all reflections included in the refinement	0.421
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505047.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505047.cif
45304	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505047 via cif-deposit CGI script.	1505047.cif