Crystallography Open Database

Information card for entry 4518356

Preview

Coordinates	4518356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H0.74 La2.95 Li4.54 O12 Ta1.12 Zr0.88
Calculated formula	H2.4 La2.955 Li4.56 O12 Ta1.12 Zr0.88
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	12.8974 ± 0.0009 Å
b	12.8974 ± 0.0009 Å
c	12.8974 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2145.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0203
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0401
Goodness-of-fit parameter for all reflections included in the refinement	1.455
Diffraction radiation probe	x-ray
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
260200 (current)	2020-12-30	cif/ Adding structures of 4518354, 4518355, 4518356, 4518357, 4518358 via cif-deposit CGI script.	4518356.cif