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Title: Materials Data on LiTiTe2 by Materials Project

Abstract

LiTiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Te2- atoms to form LiTe6 octahedra that share corners with twelve equivalent TiTe6 octahedra, edges with six equivalent LiTe6 octahedra, and faces with two equivalent TiTe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–Te bond lengths are 2.92 Å. Ti3+ is bonded to six equivalent Te2- atoms to form TiTe6 octahedra that share corners with twelve equivalent LiTe6 octahedra, edges with six equivalent TiTe6 octahedra, and faces with two equivalent LiTe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ti–Te bond lengths are 2.83 Å. Te2- is bonded to three equivalent Li1+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing TeLi3Ti3 pentagonal pyramids.

Publication Date:
Other Number(s):
mp-10189
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; LiTiTe2; Li-Te-Ti
OSTI Identifier:
1186716
DOI:
https://doi.org/10.17188/1186716

Citation Formats

The Materials Project. Materials Data on LiTiTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186716.
The Materials Project. Materials Data on LiTiTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1186716
The Materials Project. 2020. "Materials Data on LiTiTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1186716. https://www.osti.gov/servlets/purl/1186716. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1186716,
title = {Materials Data on LiTiTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Te2- atoms to form LiTe6 octahedra that share corners with twelve equivalent TiTe6 octahedra, edges with six equivalent LiTe6 octahedra, and faces with two equivalent TiTe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–Te bond lengths are 2.92 Å. Ti3+ is bonded to six equivalent Te2- atoms to form TiTe6 octahedra that share corners with twelve equivalent LiTe6 octahedra, edges with six equivalent TiTe6 octahedra, and faces with two equivalent LiTe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ti–Te bond lengths are 2.83 Å. Te2- is bonded to three equivalent Li1+ and three equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing TeLi3Ti3 pentagonal pyramids.},
doi = {10.17188/1186716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}