Crystallography Open Database

Information card for entry 2311706

Preview

Coordinates	2311706.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lithium niobate tantalate
Chemical name	lithium niobate tantalate
Formula	Li Nb0.47 O3 Ta0.53
Calculated formula	Li Nb0.47 O3 Ta0.53
Title of publication	Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Authors of publication	Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 3
Pages of publication	498 - 506
a	5.147 ± 0.001 Å
b	5.147 ± 0.001 Å
c	13.834 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	317.39 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
246091 (current)	2019-12-26	cif/ Adding structures of 2311704, 2311705, 2311706, 2311707, 2311708, 2311709, 2311710, 2311711 via cif-deposit CGI script.	2311706.cif