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Title: Materials Data on LiAlSiO5 by Materials Project

Abstract

LiAlSiO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.08 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.78 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fourthmore » O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fifth O site, O is bonded in a single-bond geometry to one Li atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198062
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; LiAlSiO5; Al-Li-O-Si
OSTI Identifier:
1705994
DOI:
https://doi.org/10.17188/1705994

Citation Formats

The Materials Project. Materials Data on LiAlSiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705994.
The Materials Project. Materials Data on LiAlSiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1705994
The Materials Project. 2020. "Materials Data on LiAlSiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1705994. https://www.osti.gov/servlets/purl/1705994. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705994,
title = {Materials Data on LiAlSiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAlSiO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.08 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.78 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fifth O site, O is bonded in a single-bond geometry to one Li atom.},
doi = {10.17188/1705994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}