U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnTlI3 by Materials Project
Abstract
TlMnI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six I1- atoms to form edge-sharing MnI6 octahedra. There are a spread of Mn–I bond distances ranging from 2.81–2.98 Å. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.60–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Mn2+ and four equivalent Tl1+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms.
- Publication Date:
- Other Number(s):
- mp-23443
- 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; I-Mn-Tl; MnTlI3; crystal structure
- OSTI Identifier:
- 1199514
- DOI:
- https://doi.org/10.17188/1199514
Citation Formats
Materials Data on MnTlI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199514.
Materials Data on MnTlI3 by Materials Project. United States. doi:https://doi.org/10.17188/1199514
2020.
"Materials Data on MnTlI3 by Materials Project". United States. doi:https://doi.org/10.17188/1199514. https://www.osti.gov/servlets/purl/1199514. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1199514,
title = {Materials Data on MnTlI3 by Materials Project},
abstractNote = {TlMnI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six I1- atoms to form edge-sharing MnI6 octahedra. There are a spread of Mn–I bond distances ranging from 2.81–2.98 Å. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.60–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to one Mn2+ and four equivalent Tl1+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms.},
doi = {10.17188/1199514},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}