Crystallography Open Database

Information card for entry 2310786

Preview

Coordinates	2310786.cif
Original IUCr paper	HTML

Structure parameters

Formula	Al4.78 O9.61 Si1.22
Calculated formula	Al4.76 O9.62 Si1.2
Title of publication	The modulated average structure of mullite.
Authors of publication	Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X.
Journal of publication	Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
Year of publication	2015
Journal volume	71
Journal issue	3
Pages of publication	358 - 368
a	7.5757 Å
b	7.6651 Å
c	2.885 Å
α	90°
β	90°
γ	90°
Cell volume	167.528 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for significantly intense reflections	2.68
Goodness-of-fit parameter for all reflections included in the refinement	2.68
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.0408 Å
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201373 (current)	2017-09-27	cif/2/31/07/ Updating bibliography in entries 2310785, 2310786.	2310786.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	2310786.cif
160964	2015-10-08	cif/ Adding structures of 2310785, 2310786 via cif-deposit CGI script.	2310786.cif