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Title: Materials Data on LiTaGeO5 by Materials Project

Abstract

LiTaOGeO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.41 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ta–O bond distances ranging from 1.97–2.01 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TaO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ge–O bond lengths are 1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two equivalent Ta5+ atoms.

Publication Date:
Other Number(s):
mp-6478
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiTaGeO5; Ge-Li-O-Ta
OSTI Identifier:
1280741
DOI:
https://doi.org/10.17188/1280741

Citation Formats

The Materials Project. Materials Data on LiTaGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280741.
The Materials Project. Materials Data on LiTaGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1280741
The Materials Project. 2020. "Materials Data on LiTaGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1280741. https://www.osti.gov/servlets/purl/1280741. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280741,
title = {Materials Data on LiTaGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTaOGeO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.41 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra and corners with four equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Ta–O bond distances ranging from 1.97–2.01 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent TaO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ge–O bond lengths are 1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ta5+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1280741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}