U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2Mn3Se4 by Materials Project
Abstract
Cs2Mn3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.75–3.96 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Se bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-3704
- 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; crystal structure; Cs-Mn-Se; Cs2Mn3Se4
- OSTI Identifier:
- 1207300
- DOI:
- https://doi.org/10.17188/1207300
Citation Formats
Materials Data on Cs2Mn3Se4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207300.
Materials Data on Cs2Mn3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1207300
2020.
"Materials Data on Cs2Mn3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1207300. https://www.osti.gov/servlets/purl/1207300. Pub date:Sun Aug 02 20:00:00 EDT 2020
@article{osti_1207300,
title = {Materials Data on Cs2Mn3Se4 by Materials Project},
abstractNote = {Cs2Mn3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.75–3.96 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. There are two shorter (2.57 Å) and two longer (2.61 Å) Mn–Se bond lengths. In the second Mn2+ site, Mn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing MnSe4 tetrahedra. All Mn–Se bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to four equivalent Cs1+ and three Mn2+ atoms.},
doi = {10.17188/1207300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}