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Title: Materials Data on LiFe2SiO4 by Materials Project

Abstract

LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. Fe is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 2.01–2.35 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two equivalent Fe, and one Si atom. In the second O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form distorted corner-sharing OLiFe2Si trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1211190
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; LiFe2SiO4; Fe-Li-O-Si
OSTI Identifier:
1731895
DOI:
https://doi.org/10.17188/1731895

Citation Formats

The Materials Project. Materials Data on LiFe2SiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731895.
The Materials Project. Materials Data on LiFe2SiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1731895
The Materials Project. 2020. "Materials Data on LiFe2SiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1731895. https://www.osti.gov/servlets/purl/1731895. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731895,
title = {Materials Data on LiFe2SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFe2SiO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.02 Å. Fe is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 2.01–2.35 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.64–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to one Li, two equivalent Fe, and one Si atom. In the second O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form corner-sharing OLiFe2Si tetrahedra. In the third O site, O is bonded to one Li, two equivalent Fe, and one Si atom to form distorted corner-sharing OLiFe2Si trigonal pyramids.},
doi = {10.17188/1731895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}