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Title: Materials Data on Li2Si4O7 by Materials Project

Abstract

Li2Si4O7 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.76–1.85 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Li and two Si atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Si atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Li and two Si atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Li and two Si atoms.

Publication Date:
Other Number(s):
mp-985637
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; Li2Si4O7; Li-O-Si
OSTI Identifier:
1316739
DOI:
https://doi.org/10.17188/1316739

Citation Formats

The Materials Project. Materials Data on Li2Si4O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316739.
The Materials Project. Materials Data on Li2Si4O7 by Materials Project. United States. doi:https://doi.org/10.17188/1316739
The Materials Project. 2020. "Materials Data on Li2Si4O7 by Materials Project". United States. doi:https://doi.org/10.17188/1316739. https://www.osti.gov/servlets/purl/1316739. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1316739,
title = {Materials Data on Li2Si4O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Si4O7 crystallizes in the tetragonal I4_1cd space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.99–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.76–1.85 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Li and two Si atoms. In the second O site, O is bonded in a water-like geometry to two equivalent Si atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to one Li and two Si atoms. In the fourth O site, O is bonded in a trigonal planar geometry to one Li and two Si atoms.},
doi = {10.17188/1316739},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}