skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiTeO3 by Materials Project

Abstract

LiTeO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.18 Å) Li–O bond lengths. In the second Li site, Li is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 2.03–2.62 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to six O atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Te–O bond distances ranging from 2.14–2.30 Å. In the second Te site, Te is bonded to six O atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is two shorter (1.93 Å) and four longer (1.99 Å) Te–O bond length. There are three inequivalent O sites. In the first O site, O is bonded to two Li and two Te atoms to form distorted corner-sharing OLi2Te2 trigonal pyramids. In themore » second O site, O is bonded in a 3-coordinate geometry to two Li and two Te atoms. In the third O site, O is bonded in a 3-coordinate geometry to one Li and two Te atoms.« less

Publication Date:
Other Number(s):
mp-755231
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; LiTeO3; Li-O-Te
OSTI Identifier:
1289841
DOI:
10.17188/1289841

Citation Formats

The Materials Project. Materials Data on LiTeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289841.
The Materials Project. Materials Data on LiTeO3 by Materials Project. United States. doi:10.17188/1289841.
The Materials Project. 2020. "Materials Data on LiTeO3 by Materials Project". United States. doi:10.17188/1289841. https://www.osti.gov/servlets/purl/1289841. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289841,
title = {Materials Data on LiTeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTeO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.00 Å) and two longer (2.18 Å) Li–O bond lengths. In the second Li site, Li is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 2.03–2.62 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to six O atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Te–O bond distances ranging from 2.14–2.30 Å. In the second Te site, Te is bonded to six O atoms to form a mixture of corner and edge-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is two shorter (1.93 Å) and four longer (1.99 Å) Te–O bond length. There are three inequivalent O sites. In the first O site, O is bonded to two Li and two Te atoms to form distorted corner-sharing OLi2Te2 trigonal pyramids. In the second O site, O is bonded in a 3-coordinate geometry to two Li and two Te atoms. In the third O site, O is bonded in a 3-coordinate geometry to one Li and two Te atoms.},
doi = {10.17188/1289841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: