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Title: Materials Data on LiZnPS4 by Materials Project

Abstract

LiZnPS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Li–S bond lengths are 2.46 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent ZnS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-11175
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; LiZnPS4; Li-P-S-Zn
OSTI Identifier:
1187611
DOI:
https://doi.org/10.17188/1187611

Citation Formats

The Materials Project. Materials Data on LiZnPS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187611.
The Materials Project. Materials Data on LiZnPS4 by Materials Project. United States. doi:https://doi.org/10.17188/1187611
The Materials Project. 2020. "Materials Data on LiZnPS4 by Materials Project". United States. doi:https://doi.org/10.17188/1187611. https://www.osti.gov/servlets/purl/1187611. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1187611,
title = {Materials Data on LiZnPS4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiZnPS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Li–S bond lengths are 2.46 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent ZnS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom.},
doi = {10.17188/1187611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}