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Title: Materials Data on Li4Si2O7 by Materials Project

Abstract

Li4Si2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Li is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.92–2.03 Å. Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one Si atom. In the third O site, O is bonded in a rectangular see-saw-like geometry to three equivalent Li and one Si atom.

Authors:
Publication Date:
Other Number(s):
mp-1193913
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; Li4Si2O7; Li-O-Si
OSTI Identifier:
1672595
DOI:
https://doi.org/10.17188/1672595

Citation Formats

The Materials Project. Materials Data on Li4Si2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672595.
The Materials Project. Materials Data on Li4Si2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1672595
The Materials Project. 2020. "Materials Data on Li4Si2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1672595. https://www.osti.gov/servlets/purl/1672595. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672595,
title = {Materials Data on Li4Si2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4Si2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Li is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.92–2.03 Å. Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.65 Å) Si–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one Si atom. In the third O site, O is bonded in a rectangular see-saw-like geometry to three equivalent Li and one Si atom.},
doi = {10.17188/1672595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}