Materials Data on MnTlCl3 by Materials Project
Abstract
TlMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 12–16°. There are four shorter (2.55 Å) and two longer (2.56 Å) Mn–Cl bond lengths. Tl1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.28–3.99 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30528
- 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; MnTlCl3; Cl-Mn-Tl
- OSTI Identifier:
- 1204926
- DOI:
- https://doi.org/10.17188/1204926
Citation Formats
The Materials Project. Materials Data on MnTlCl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204926.
The Materials Project. Materials Data on MnTlCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1204926
The Materials Project. 2020.
"Materials Data on MnTlCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1204926. https://www.osti.gov/servlets/purl/1204926. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204926,
title = {Materials Data on MnTlCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {TlMnCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Cl1- atoms to form corner-sharing MnCl6 octahedra. The corner-sharing octahedra tilt angles range from 12–16°. There are four shorter (2.55 Å) and two longer (2.56 Å) Mn–Cl bond lengths. Tl1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.28–3.99 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1204926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}