Crystallography Open Database

Information card for entry 1548102

Preview

Coordinates	1548102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al7.93 Ca2.73 H29.74 K1.03 Na1.44 O62.87 Si16.07
Calculated formula	Al7.92 Ca2.72 K1.04 Na1.44 O62.864 Si16.08
Title of publication	An X-ray single crystal study of alkaline cations influence on laumontite hydration ability: II. Pressure-induced hydration of Na,K-rich laumontite
Authors of publication	Rashchenko, Sergey V.; Seryotkin, Yurii V.; Bakakin, Vladimir V.
Journal of publication	Microporous and Mesoporous Materials
Year of publication	2012
Journal volume	159
Pages of publication	126
a	14.786 ± 0.003 Å
b	13.1593 ± 0.0018 Å
c	7.5294 ± 0.0006 Å
α	90°
β	110.337 ± 0.013°
γ	90°
Cell volume	1373.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	170 ± 50 kPa
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
203297 (current)	2017-11-18	cif/ Adding structures of 1548102 via cif-deposit CGI script.	1548102.cif