U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMn2(CO3)4 by Materials Project
Abstract
LiMn2(CO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.48 Å. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.98–2.47 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded in a pentagonal pyramidal geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.97–2.02 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.31 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.25–1.33 Å. In the fourth C4+ site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-763560
- 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; LiMn2(CO3)4; C-Li-Mn-O
- OSTI Identifier:
- 1293638
- DOI:
- https://doi.org/10.17188/1293638
Citation Formats
The Materials Project. Materials Data on LiMn2(CO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293638.
The Materials Project. Materials Data on LiMn2(CO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1293638
The Materials Project. 2020.
"Materials Data on LiMn2(CO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1293638. https://www.osti.gov/servlets/purl/1293638. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1293638,
title = {Materials Data on LiMn2(CO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMn2(CO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.48 Å. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.98–2.47 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded in a pentagonal pyramidal geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.97–2.02 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.31 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.31 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.25–1.33 Å. In the fourth C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.32 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Mn+3.50+, and one C4+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Mn+3.50+ and one C4+ atom. In the third O2- site, O2- is bonded in an L-shaped geometry to one Mn+3.50+ and one C4+ atom. In the fourth O2- site, O2- is bonded in an L-shaped geometry to one Mn+3.50+ and one C4+ atom. In the fifth O2- site, O2- is bonded in an L-shaped geometry to one Mn+3.50+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn+3.50+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn+3.50+ and one C4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Mn+3.50+, and one C4+ atom. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Mn+3.50+, and one C4+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Mn+3.50+, and one C4+ atom. In the eleventh O2- site, O2- is bonded in an L-shaped geometry to one Mn+3.50+ and one C4+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Mn+3.50+, and one C4+ atom.},
doi = {10.17188/1293638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}