Crystallography Open Database

Information card for entry 1505049

Preview

Coordinates	1505049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca1.84 K0 Mg0.11 Na0 O33.96 Si16
Calculated formula	Ca1.814 Mg0.114 O33.884 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	17.863 ± 0.001 Å
b	17.857 ± 0.001 Å
c	14.636 ± 0.001 Å
α	90°
β	114.35 ± 0.01°
γ	90°
Cell volume	4253.3 ± 0.6 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 2 K
Number of distinct elements	6
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	0.2441
Residual factor for significantly intense reflections	0.1283
Weighted residual factors for significantly intense reflections	0.3344
Weighted residual factors for all reflections included in the refinement	0.4176
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	1505049.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505049.cif
45306	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505049 via cif-deposit CGI script.	1505049.cif