Crystallography Open Database

Information card for entry 4001718

Preview

Coordinates	4001718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al9 K O14
Calculated formula	Al9 K O14
Title of publication	Superstructure of Mullite-type KAl9O14
Authors of publication	Lazic, Biljana; Krüger, Hannes; Kaindl, Reinhard; Perfler, Lukas; Kremenović, Aleksandar; Cvetković, Vladica; Withers, Ray L.
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	3
Pages of publication	496
a	8.188 ± 0.0008 Å
b	7.676 ± 0.0007 Å
c	8.7944 ± 0.0009 Å
α	90°
β	110.57 ± 0.008°
γ	90°
Cell volume	517.5 ± 0.09 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for significantly intense reflections	2.94
Goodness-of-fit parameter for all reflections included in the refinement	2.83
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001718.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001718.cif
73968	2013-02-21	cif/ Adding structures of 4001718 via cif-deposit CGI script.	4001718.cif