Materials Data on Li2TeSe3 by Materials Project
Abstract
Li2TeSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–16°. There are a spread of Li–Se bond distances ranging from 2.64–3.26 Å. In the second Li1+ site, Li1+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Li–Se bond distances ranging from 2.78–2.97 Å. Te4+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Te–Se bond distances ranging from 2.54–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Li1+ and one Te4+ atom to form a mixture of edge and corner-sharing SeLi5Te octahedra. The corner-sharing octahedra tilt angles range from 1–16°. In the second Se2- site, Se2- is bonded to four Li1+ and two equivalent Te4+ atoms to form a mixture of distorted edge and corner-sharing SeLi4Te2 octahedra. The corner-sharing octahedra tilt angles range from 1–16°.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-570080
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2TeSe3; Li-Se-Te
- OSTI Identifier:
- 1275461
- DOI:
- https://doi.org/10.17188/1275461
Citation Formats
The Materials Project. Materials Data on Li2TeSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275461.
The Materials Project. Materials Data on Li2TeSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1275461
The Materials Project. 2020.
"Materials Data on Li2TeSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1275461. https://www.osti.gov/servlets/purl/1275461. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275461,
title = {Materials Data on Li2TeSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2TeSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–16°. There are a spread of Li–Se bond distances ranging from 2.64–3.26 Å. In the second Li1+ site, Li1+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Li–Se bond distances ranging from 2.78–2.97 Å. Te4+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Te–Se bond distances ranging from 2.54–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Li1+ and one Te4+ atom to form a mixture of edge and corner-sharing SeLi5Te octahedra. The corner-sharing octahedra tilt angles range from 1–16°. In the second Se2- site, Se2- is bonded to four Li1+ and two equivalent Te4+ atoms to form a mixture of distorted edge and corner-sharing SeLi4Te2 octahedra. The corner-sharing octahedra tilt angles range from 1–16°. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three Li1+ and three equivalent Te4+ atoms.},
doi = {10.17188/1275461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}