Crystallography Open Database

Information card for entry 4518358

Preview

Coordinates	4518358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H0.9 La2.91 Li4.44 O12 Ta0.94 Zr1.06
Calculated formula	H2.16 La2.907 Li4.446 O12 Ta0.964 Zr1.036
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	12.9041 ± 0.0002 Å
b	12.9041 ± 0.0002 Å
c	12.9041 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2148.74 ± 0.06 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	0.0182
Residual factor for significantly intense reflections	0.0134
Weighted residual factors for significantly intense reflections	0.0243
Weighted residual factors for all reflections included in the refinement	0.0252
Goodness-of-fit parameter for all reflections included in the refinement	1.307
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.	4518358.cif