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Title: Materials Data on Li9Mn2Co5O16 by Materials Project

Abstract

Li9Mn2Co5O16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and four O2- atoms. There are one shorter (2.21 Å) and one longer (2.22 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 1.90–2.16 Å. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Co+2.80+ and five O2- atoms. The Li–Co bond length is 2.19 Å. There are a spread of Li–O bond distances ranging from 1.87–2.42 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and six O2- atoms. There are one shorter (2.20 Å) and one longer (2.27 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 2.06–2.61 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Co+2.80+ and five O2- atoms. The Li–Co bond length is 2.25 Å. There are a spread of Li–O bond distances ranging from 2.03–2.30 Å. In the fifth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four O2- atoms.more » There are a spread of Li–O bond distances ranging from 1.89–2.37 Å. In the sixth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and four O2- atoms. There are one shorter (2.21 Å) and one longer (2.23 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 1.91–2.23 Å. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Co+2.80+ and four O2- atoms. The Li–Co bond length is 2.31 Å. There are a spread of Li–O bond distances ranging from 2.13–2.22 Å. In the eighth Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Co+2.80+ and three O2- atoms. The Li–Co bond length is 2.22 Å. There are a spread of Li–O bond distances ranging from 2.01–2.14 Å. In the ninth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.11–2.20 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.89–2.03 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mn–O bond distances ranging from 1.87–2.25 Å. There are five inequivalent Co+2.80+ sites. In the first Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.94–2.36 Å. In the second Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.78–2.60 Å. In the third Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 2.03–2.47 Å. In the fourth Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.80–2.41 Å. In the fifth Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.90–2.39 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and two Co+2.80+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and three Co+2.80+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and two Co+2.80+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and three Co+2.80+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Co+2.80+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Co+2.80+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to four Li1+ and two Co+2.80+ atoms. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+, one Mn+4.50+, and one Co+2.80+ atom.« less

Publication Date:
Other Number(s):
mp-1176058
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; Li9Mn2Co5O16; Co-Li-Mn-O
OSTI Identifier:
1652055
DOI:
https://doi.org/10.17188/1652055

Citation Formats

The Materials Project. Materials Data on Li9Mn2Co5O16 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652055.
The Materials Project. Materials Data on Li9Mn2Co5O16 by Materials Project. United States. doi:https://doi.org/10.17188/1652055
The Materials Project. 2019. "Materials Data on Li9Mn2Co5O16 by Materials Project". United States. doi:https://doi.org/10.17188/1652055. https://www.osti.gov/servlets/purl/1652055. Pub date:Wed Feb 06 00:00:00 EST 2019
@article{osti_1652055,
title = {Materials Data on Li9Mn2Co5O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Li9Mn2Co5O16 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and four O2- atoms. There are one shorter (2.21 Å) and one longer (2.22 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 1.90–2.16 Å. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Co+2.80+ and five O2- atoms. The Li–Co bond length is 2.19 Å. There are a spread of Li–O bond distances ranging from 1.87–2.42 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and six O2- atoms. There are one shorter (2.20 Å) and one longer (2.27 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 2.06–2.61 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Co+2.80+ and five O2- atoms. The Li–Co bond length is 2.25 Å. There are a spread of Li–O bond distances ranging from 2.03–2.30 Å. In the fifth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.89–2.37 Å. In the sixth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two Co+2.80+ and four O2- atoms. There are one shorter (2.21 Å) and one longer (2.23 Å) Li–Co bond lengths. There are a spread of Li–O bond distances ranging from 1.91–2.23 Å. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one Co+2.80+ and four O2- atoms. The Li–Co bond length is 2.31 Å. There are a spread of Li–O bond distances ranging from 2.13–2.22 Å. In the eighth Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Co+2.80+ and three O2- atoms. The Li–Co bond length is 2.22 Å. There are a spread of Li–O bond distances ranging from 2.01–2.14 Å. In the ninth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.11–2.20 Å. There are two inequivalent Mn+4.50+ sites. In the first Mn+4.50+ site, Mn+4.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.89–2.03 Å. In the second Mn+4.50+ site, Mn+4.50+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mn–O bond distances ranging from 1.87–2.25 Å. There are five inequivalent Co+2.80+ sites. In the first Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.94–2.36 Å. In the second Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.78–2.60 Å. In the third Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 2.03–2.47 Å. In the fourth Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.80–2.41 Å. In the fifth Co+2.80+ site, Co+2.80+ is bonded in a 8-coordinate geometry to two Li1+ and six O2- atoms. There are a spread of Co–O bond distances ranging from 1.90–2.39 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and two Co+2.80+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and three Co+2.80+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and two Co+2.80+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and one Co+2.80+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and three Co+2.80+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Co+2.80+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and two Co+2.80+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Li1+, one Mn+4.50+, and two Co+2.80+ atoms. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to four Li1+ and two Co+2.80+ atoms. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+, one Mn+4.50+, and one Co+2.80+ atom.},
doi = {10.17188/1652055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {2}
}