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Title: Materials Data on Li2ZnSi by Materials Project

Abstract

Li2ZnSi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.73 Å) and three longer (2.80 Å) Li–Si bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.80 Å) Li–Si bond lengths. In the third Li1+ site, Li1+ is bonded to four Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.74 Å) and three longer (2.79 Å) Li–Si bond lengths. In the fourth Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.76 Å) and three longer (2.79 Å) Li–Si bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengthsmore » are 2.44 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Zn2+ atoms. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Zn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-571566
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; Li2ZnSi; Li-Si-Zn
OSTI Identifier:
1276324
DOI:
https://doi.org/10.17188/1276324

Citation Formats

The Materials Project. Materials Data on Li2ZnSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276324.
The Materials Project. Materials Data on Li2ZnSi by Materials Project. United States. doi:https://doi.org/10.17188/1276324
The Materials Project. 2020. "Materials Data on Li2ZnSi by Materials Project". United States. doi:https://doi.org/10.17188/1276324. https://www.osti.gov/servlets/purl/1276324. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276324,
title = {Materials Data on Li2ZnSi by Materials Project},
author = {The Materials Project},
abstractNote = {Li2ZnSi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.73 Å) and three longer (2.80 Å) Li–Si bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.80 Å) Li–Si bond lengths. In the third Li1+ site, Li1+ is bonded to four Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.74 Å) and three longer (2.79 Å) Li–Si bond lengths. In the fourth Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.76 Å) and three longer (2.79 Å) Li–Si bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.44 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Zn2+ atoms. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Zn2+ atoms.},
doi = {10.17188/1276324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}