Crystallography Open Database

Information card for entry 2310742

Preview

Coordinates	2310742.cif
Original IUCr paper	HTML

Structure parameters

Formula	Fe0.571 La3.429 O11.429 Ti2.858
Calculated formula	Fe1.0304 La3.4288 O11.4288 Ti1.248
Title of publication	Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)
Authors of publication	Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander
Journal of publication	Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
Year of publication	2013
Journal volume	69
Journal issue	2
Pages of publication	137 - 144
a	7.821 ± 0.002 Å
b	5.2697 ± 0.0018 Å
c	5.5468 ± 0.0018 Å
α	90°
β	90°
γ	90.02 ± 0.02°
Cell volume	228.61 ± 0.12 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1 (2c,2a+c,b)
Hall space group symbol	-P 2ybc (-1/4x+1/2z,1/2*x,y)
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for significantly intense reflections	3.19
Goodness-of-fit parameter for all reflections included in the refinement	3.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201407 (current)	2017-09-28	cif/2/31/07/ Updating bibliography in entries 2310735-2310748.	2310742.cif
160845	2015-10-07	cif/ Adding structures of 2310735, 2310736, 2310737, 2310738, 2310739, 2310740, 2310741, 2310742, 2310743, 2310744, 2310745, 2310746, 2310747, 2310748 via cif-deposit CGI script.	2310742.cif