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Title: Materials Data on LiCo3OF5 by Materials Project

Abstract

LiCo3OF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted bent 150 degrees geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.21–2.56 Å. There are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Co–O bond length is 1.91 Å. There are a spread of Co–F bond distances ranging from 1.77–2.55 Å. In the second Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three F1- atoms. There are a spread of Co–F bond distances ranging from 1.75–2.29 Å. In the third Co2+ site, Co2+ is bonded in a distorted bent 120 degrees geometry to two F1- atoms. There is one shorter (1.31 Å) and one longer (1.55 Å) Co–F bond length. O2- is bonded in a 1-coordinate geometry to one Co2+ and one F1- atom. The O–F bond length is 2.60 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and one Co2+ atom. In the second F1- site, F1- is bonded in amore » distorted bent 120 degrees geometry to one Li1+ and two Co2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Co2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+, two Co2+, and one O2- atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Co2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-764144
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; LiCo3OF5; Co-F-Li-O
OSTI Identifier:
1294478
DOI:
https://doi.org/10.17188/1294478

Citation Formats

The Materials Project. Materials Data on LiCo3OF5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1294478.
The Materials Project. Materials Data on LiCo3OF5 by Materials Project. United States. doi:https://doi.org/10.17188/1294478
The Materials Project. 2017. "Materials Data on LiCo3OF5 by Materials Project". United States. doi:https://doi.org/10.17188/1294478. https://www.osti.gov/servlets/purl/1294478. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1294478,
title = {Materials Data on LiCo3OF5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCo3OF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted bent 150 degrees geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.21–2.56 Å. There are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Co–O bond length is 1.91 Å. There are a spread of Co–F bond distances ranging from 1.77–2.55 Å. In the second Co2+ site, Co2+ is bonded in a 2-coordinate geometry to three F1- atoms. There are a spread of Co–F bond distances ranging from 1.75–2.29 Å. In the third Co2+ site, Co2+ is bonded in a distorted bent 120 degrees geometry to two F1- atoms. There is one shorter (1.31 Å) and one longer (1.55 Å) Co–F bond length. O2- is bonded in a 1-coordinate geometry to one Co2+ and one F1- atom. The O–F bond length is 2.60 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and one Co2+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and two Co2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Co2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+, two Co2+, and one O2- atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to three Co2+ atoms.},
doi = {10.17188/1294478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}