Crystallography Open Database

Information card for entry 2108246

Preview

Structure parameters

Common name	potassium zinc silicon oxide
Formula	K2 O12 Si5 Zn
Calculated formula	K2 O11.9998 Si4.99968 Zn1.0002
Title of publication	Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles
Authors of publication	Bell, Anthony M. T.; Henderson, C. Michael B.
Journal of publication	Acta Crystallographica Section B
Year of publication	2018
Journal volume	74
Journal issue	3
a	13.3772 ± 0.0002 Å
b	13.3772 ± 0.0002 Å
c	13.3772 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2393.84 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor R(I) for significantly intense reflections	8.3117
Goodness-of-fit parameter for all reflections	1.2673
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
207633 (current)	2018-05-02	cif/ hkl/ Adding structures of 2108246, 2108247, 2108248, 2108249, 2108250, 2108251 via cif-deposit CGI script.	2108246.cif 2108246.hkl