Materials Data on Li2PS3 by Materials Project
Abstract
Li2PS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Li–S bond distances ranging from 2.59–2.65 Å. P4+ is bonded in a trigonal planar geometry to three S2- atoms. All P–S bond lengths are 2.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one P4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one P4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-38200
- 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; Li2PS3; Li-P-S
- OSTI Identifier:
- 1207484
- DOI:
- https://doi.org/10.17188/1207484
Citation Formats
The Materials Project. Materials Data on Li2PS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207484.
The Materials Project. Materials Data on Li2PS3 by Materials Project. United States. doi:https://doi.org/10.17188/1207484
The Materials Project. 2020.
"Materials Data on Li2PS3 by Materials Project". United States. doi:https://doi.org/10.17188/1207484. https://www.osti.gov/servlets/purl/1207484. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207484,
title = {Materials Data on Li2PS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Li–S bond distances ranging from 2.59–2.65 Å. P4+ is bonded in a trigonal planar geometry to three S2- atoms. All P–S bond lengths are 2.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one P4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one P4+ atom.},
doi = {10.17188/1207484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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