U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2LiMnO4 by Materials Project
Abstract
Cs2LiMnO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.22 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.21 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with two equivalent MnO4 tetrahedra and an edgeedge with one MnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.04 Å. Mn is bonded to four O atoms to form MnO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.72–1.74 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two Cs, one Li, and one Mn atom. In the second O site, O is bonded in a distorted L-shaped geometry to four Cs, one Li, and onemore »
- Publication Date:
- Other Number(s):
- mp-18722
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cs-Li-Mn-O; Cs2LiMnO4; crystal structure
- OSTI Identifier:
- 1193369
- DOI:
- https://doi.org/10.17188/1193369
Citation Formats
Materials Data on Cs2LiMnO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193369.
Materials Data on Cs2LiMnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193369
2020.
"Materials Data on Cs2LiMnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193369. https://www.osti.gov/servlets/purl/1193369. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1193369,
title = {Materials Data on Cs2LiMnO4 by Materials Project},
abstractNote = {Cs2LiMnO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.22 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.21 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with two equivalent MnO4 tetrahedra and an edgeedge with one MnO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.04 Å. Mn is bonded to four O atoms to form MnO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.72–1.74 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two Cs, one Li, and one Mn atom. In the second O site, O is bonded in a distorted L-shaped geometry to four Cs, one Li, and one Mn atom. In the third O site, O is bonded in a distorted L-shaped geometry to four Cs, one Li, and one Mn atom.},
doi = {10.17188/1193369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}