Crystallography Open Database

Information card for entry 2312296

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Coordinates	2312296.cif
Original IUCr paper	HTML

Structure parameters

Common name	natrolite
Formula	Al2 H4 Na2 O12 Si3
Calculated formula	Al2 H4 Na2 O12 Si3
Title of publication	Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
Authors of publication	Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
Journal of publication	Acta Crystallographica Section A Foundations and Advances
Year of publication	2023
Journal volume	79
Journal issue	5
Pages of publication	427 - 439
a	18.2872 ± 0.0011 Å
b	18.666 ± 0.0014 Å
c	6.6222 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2260.5 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.172
Residual factor for significantly intense reflections	0.1458
Weighted residual factors for significantly intense reflections	0.3033
Weighted residual factors for all reflections included in the refinement	0.3052
Goodness-of-fit parameter for significantly intense reflections	7.8689
Goodness-of-fit parameter for all reflections included in the refinement	6.2593
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electrons200keV
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286386 (current)	2023-09-18	cif/ Adding structures of 2312286, 2312287, 2312288, 2312289, 2312290, 2312291, 2312292, 2312293, 2312294, 2312295, 2312296, 2312297, 2312298, 2312299, 2312300 via cif-deposit CGI script.	2312296.cif