U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlGeI3 by Materials Project
Abstract
TlGeI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.65–3.86 Å. Ge2+ is bonded to six I1- atoms to form edge-sharing GeI6 octahedra. There are a spread of Ge–I bond distances ranging from 2.88–3.21 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to one Tl1+ and three equivalent Ge2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Ge2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Ge2+ atom.
- Publication Date:
- Other Number(s):
- mp-29288
- 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; Ge-I-Tl; TlGeI3; crystal structure
- OSTI Identifier:
- 1203655
- DOI:
- https://doi.org/10.17188/1203655
Citation Formats
Materials Data on TlGeI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203655.
Materials Data on TlGeI3 by Materials Project. United States. doi:https://doi.org/10.17188/1203655
2020.
"Materials Data on TlGeI3 by Materials Project". United States. doi:https://doi.org/10.17188/1203655. https://www.osti.gov/servlets/purl/1203655. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203655,
title = {Materials Data on TlGeI3 by Materials Project},
abstractNote = {TlGeI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.65–3.86 Å. Ge2+ is bonded to six I1- atoms to form edge-sharing GeI6 octahedra. There are a spread of Ge–I bond distances ranging from 2.88–3.21 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to one Tl1+ and three equivalent Ge2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Ge2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Ge2+ atom.},
doi = {10.17188/1203655},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}