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

Title: Materials Data on LiFe2F9 by Materials Project

Abstract

LiFe2F9 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one LiFe2F9 ribbon oriented in the (0, 1, 0) direction. Li is bonded in a 1-coordinate geometry to three F atoms. There are a spread of Li–F bond distances ranging from 1.70–2.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four F atoms. There are a spread of Fe–F bond distances ranging from 1.64–1.92 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to six F atoms. There are a spread of Fe–F bond distances ranging from 1.38–2.53 Å. There are nine inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Fe atom. In the second F site, F is bonded in a distorted single-bond geometry to one Li atom. In the third F site, F is bonded in a 2-coordinate geometry to one Li and one Fe atom. In the fourth F site, F is bonded in a single-bond geometry to one Fe atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Femore » atom. In the sixth F site, F is bonded in a single-bond geometry to one Fe atom. In the seventh F site, F is bonded in a 2-coordinate geometry to two equivalent Fe atoms. In the eighth F site, F is bonded in a distorted bent 150 degrees geometry to two Fe atoms. In the ninth F site, F is bonded in a distorted bent 150 degrees geometry to one Li and one Fe atom.« less

Publication Date:
Other Number(s):
mp-776050
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; LiFe2F9; F-Fe-Li
OSTI Identifier:
1304100
DOI:
https://doi.org/10.17188/1304100

Citation Formats

The Materials Project. Materials Data on LiFe2F9 by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1304100.
The Materials Project. Materials Data on LiFe2F9 by Materials Project. United States. doi:https://doi.org/10.17188/1304100
The Materials Project. 2016. "Materials Data on LiFe2F9 by Materials Project". United States. doi:https://doi.org/10.17188/1304100. https://www.osti.gov/servlets/purl/1304100. Pub date:Tue Aug 23 00:00:00 EDT 2016
@article{osti_1304100,
title = {Materials Data on LiFe2F9 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFe2F9 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one LiFe2F9 ribbon oriented in the (0, 1, 0) direction. Li is bonded in a 1-coordinate geometry to three F atoms. There are a spread of Li–F bond distances ranging from 1.70–2.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to four F atoms. There are a spread of Fe–F bond distances ranging from 1.64–1.92 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to six F atoms. There are a spread of Fe–F bond distances ranging from 1.38–2.53 Å. There are nine inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Fe atom. In the second F site, F is bonded in a distorted single-bond geometry to one Li atom. In the third F site, F is bonded in a 2-coordinate geometry to one Li and one Fe atom. In the fourth F site, F is bonded in a single-bond geometry to one Fe atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Fe atom. In the sixth F site, F is bonded in a single-bond geometry to one Fe atom. In the seventh F site, F is bonded in a 2-coordinate geometry to two equivalent Fe atoms. In the eighth F site, F is bonded in a distorted bent 150 degrees geometry to two Fe atoms. In the ninth F site, F is bonded in a distorted bent 150 degrees geometry to one Li and one Fe atom.},
doi = {10.17188/1304100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {8}
}