Crystallography Open Database

Information card for entry 2310739

Preview

Coordinates	2310739.cif
Original IUCr paper	HTML

Structure parameters

Formula	Fe0.615 La3.333 O11.333 Ti2.718
Calculated formula	Fe0.44 La3.3344 O11.3328 Ti1.536
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	7.837 ± 0.0016 Å
b	5.2237 ± 0.0013 Å
c	5.5459 ± 0.0012 Å
α	90°
β	90°
γ	90.001 ± 0.017°
Cell volume	227.04 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0329
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0452
Goodness-of-fit parameter for significantly intense reflections	2.84
Goodness-of-fit parameter for all reflections included in the refinement	2.77
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	2310739.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.	2310739.cif