Crystallography Open Database

Information card for entry 1548718

Preview

Coordinates	1548718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al4 Fe2 O18 Si5
Calculated formula	Al4.0002 Fe2 O18 Si4.9998
Title of publication	Structural investigations of the two polymorphs of synthetic Fe-cordierite and Raman spectroscopy of hexagonal Fe-cordierite
Authors of publication	Udo Haefeker; Reinhard Kaindl; Peter Tropper; Hannes Kruger; Volker Kahlenberg; Maria Orlova
Journal of publication	Mineralogy and Petrology
Year of publication	2014
Journal volume	108
Pages of publication	469 - 478
a	9.8801 ± 0.0006 Å
b	9.8801 ± 0.0006 Å
c	9.2852 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	784.95 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for significantly intense reflections	3.69
Goodness-of-fit parameter for all reflections included in the refinement	3.66
Diffraction radiation probe	x-ray
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
205364 (current)	2018-01-18	cif/ Adding structures of 1548718 via cif-deposit CGI script.	1548718.cif