skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiFePO4 by Materials Project

Abstract

LiFePO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.74 Å. Fe2+ is bonded to five O2- atoms to form FeO5 square pyramids that share corners with five equivalent PO4 tetrahedra and edges with two equivalent FeO5 square pyramids. There are a spread of Fe–O bond distances ranging from 2.01–2.26 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent FeO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Fe2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Fe2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Fe2+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-774251
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; LiFePO4; Fe-Li-O-P
OSTI Identifier:
1302441
DOI:
10.17188/1302441

Citation Formats

The Materials Project. Materials Data on LiFePO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302441.
The Materials Project. Materials Data on LiFePO4 by Materials Project. United States. doi:10.17188/1302441.
The Materials Project. 2020. "Materials Data on LiFePO4 by Materials Project". United States. doi:10.17188/1302441. https://www.osti.gov/servlets/purl/1302441. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1302441,
title = {Materials Data on LiFePO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFePO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.74 Å. Fe2+ is bonded to five O2- atoms to form FeO5 square pyramids that share corners with five equivalent PO4 tetrahedra and edges with two equivalent FeO5 square pyramids. There are a spread of Fe–O bond distances ranging from 2.01–2.26 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five equivalent FeO5 square pyramids. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Fe2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Fe2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Fe2+, and one P5+ atom.},
doi = {10.17188/1302441},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

Dataset:

Save / Share: