U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnTlCl3 by Materials Project
Abstract
TlMnCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form edge-sharing MnCl6 octahedra. There are a spread of Mn–Cl bond distances ranging from 2.44–2.62 Å. Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.27–3.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom.
- Publication Date:
- Other Number(s):
- mp-570300
- 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; Cl-Mn-Tl; MnTlCl3; crystal structure
- OSTI Identifier:
- 1275628
- DOI:
- https://doi.org/10.17188/1275628
Citation Formats
Materials Data on MnTlCl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275628.
Materials Data on MnTlCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1275628
2020.
"Materials Data on MnTlCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1275628. https://www.osti.gov/servlets/purl/1275628. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275628,
title = {Materials Data on MnTlCl3 by Materials Project},
abstractNote = {TlMnCl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form edge-sharing MnCl6 octahedra. There are a spread of Mn–Cl bond distances ranging from 2.44–2.62 Å. Tl1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.27–3.49 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and three equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent Mn2+ and one Tl1+ atom.},
doi = {10.17188/1275628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}