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Title: Materials Data on Li2CaSiO4 by Materials Project

Abstract

Li2CaSiO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent SiO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Li–O bond lengths are 1.98 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.40 Å) and four longer (2.76 Å) Ca–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with eight equivalent LiO4 trigonal pyramids. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Ca2+, and one Si4+ atom.

Publication Date:
Other Number(s):
mp-7610
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; Li2CaSiO4; Ca-Li-O-Si
OSTI Identifier:
1291732
DOI:
10.17188/1291732

Citation Formats

The Materials Project. Materials Data on Li2CaSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291732.
The Materials Project. Materials Data on Li2CaSiO4 by Materials Project. United States. doi:10.17188/1291732.
The Materials Project. 2020. "Materials Data on Li2CaSiO4 by Materials Project". United States. doi:10.17188/1291732. https://www.osti.gov/servlets/purl/1291732. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1291732,
title = {Materials Data on Li2CaSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CaSiO4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent SiO4 tetrahedra and corners with four equivalent LiO4 trigonal pyramids. All Li–O bond lengths are 1.98 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.40 Å) and four longer (2.76 Å) Ca–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with eight equivalent LiO4 trigonal pyramids. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Li1+, two equivalent Ca2+, and one Si4+ atom.},
doi = {10.17188/1291732},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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