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Title: Materials Data on LiTePO5 by Materials Project

Abstract

LiPTeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.64 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.54 Å) and three longer (1.56 Å) P–O bond length. Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one P5+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one P5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+, one P5+, and one Te4+ atom.

Publication Date:
Other Number(s):
mp-782065
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; LiTePO5; Li-O-P-Te
OSTI Identifier:
1307624
DOI:
https://doi.org/10.17188/1307624

Citation Formats

The Materials Project. Materials Data on LiTePO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307624.
The Materials Project. Materials Data on LiTePO5 by Materials Project. United States. doi:https://doi.org/10.17188/1307624
The Materials Project. 2020. "Materials Data on LiTePO5 by Materials Project". United States. doi:https://doi.org/10.17188/1307624. https://www.osti.gov/servlets/purl/1307624. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1307624,
title = {Materials Data on LiTePO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiPTeO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.64 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.54 Å) and three longer (1.56 Å) P–O bond length. Te4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one P5+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one P5+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+, one P5+, and one Te4+ atom.},
doi = {10.17188/1307624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}