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Title: Materials Data on Li6TeO6 by Materials Project

Abstract

Li6(TeO6) crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to five equivalent O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one TeO6 octahedra, corners with eight equivalent LiO5 square pyramids, edges with two equivalent TeO6 octahedra, and edges with six equivalent LiO5 square pyramids. The corner-sharing octahedral tilt angles are 13°. There are a spread of Li–O bond distances ranging from 1.98–2.41 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO5 square pyramids and edges with twelve equivalent LiO5 square pyramids. All Te–O bond lengths are 1.96 Å. O2- is bonded to five equivalent Li1+ and one Te6+ atom to form a mixture of distorted corner and edge-sharing OLi5Te octahedra. The corner-sharing octahedra tilt angles range from 0–19°.

Publication Date:
Other Number(s):
mp-7941
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; Li6TeO6; Li-O-Te
OSTI Identifier:
1307850
DOI:
https://doi.org/10.17188/1307850

Citation Formats

The Materials Project. Materials Data on Li6TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307850.
The Materials Project. Materials Data on Li6TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1307850
The Materials Project. 2020. "Materials Data on Li6TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1307850. https://www.osti.gov/servlets/purl/1307850. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307850,
title = {Materials Data on Li6TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li6(TeO6) crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to five equivalent O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one TeO6 octahedra, corners with eight equivalent LiO5 square pyramids, edges with two equivalent TeO6 octahedra, and edges with six equivalent LiO5 square pyramids. The corner-sharing octahedral tilt angles are 13°. There are a spread of Li–O bond distances ranging from 1.98–2.41 Å. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent LiO5 square pyramids and edges with twelve equivalent LiO5 square pyramids. All Te–O bond lengths are 1.96 Å. O2- is bonded to five equivalent Li1+ and one Te6+ atom to form a mixture of distorted corner and edge-sharing OLi5Te octahedra. The corner-sharing octahedra tilt angles range from 0–19°.},
doi = {10.17188/1307850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}