Crystallography Open Database

Information card for entry 4518361

Preview

Coordinates	4518361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	La3 Li6.27 O12 Ta1.09 Zr0.91
Calculated formula	La3.003 Li6.0726 O12 Ta1.088 Zr0.912
Title of publication	Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques
Authors of publication	Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel
Journal of publication	ACS Applied Materials & Interfaces
Year of publication	2020
a	12.8775 ± 0.0002 Å
b	12.8775 ± 0.0002 Å
c	12.8775 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2135.48 ± 0.06 Å³
Cell temperature	300 ± 1 K
Ambient diffraction temperature	300 ± 1 K
Number of distinct elements	5
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0282
Weighted residual factors for all reflections included in the refinement	0.0328
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	MLZ SR9B (hot source)
Diffraction radiation wavelength	0.793 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260201 (current)	2020-12-30	cif/ Adding structures of 4518359, 4518360, 4518361, 4518362 via cif-deposit CGI script.	4518361.cif