U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThI3 by Materials Project
Abstract
ThI3 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a body-centered cubic geometry to eight I atoms. There are four shorter (3.29 Å) and four longer (3.33 Å) Th–I bond lengths. In the second Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are four shorter (3.25 Å) and four longer (3.27 Å) Th–I bond lengths. In the third Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Th–I bond distances ranging from 3.19–3.34 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the second I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms. In the fourth I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms.
- Publication Date:
- Other Number(s):
- mp-540904
- 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-Th; ThI3; crystal structure
- OSTI Identifier:
- 1264860
- DOI:
- https://doi.org/10.17188/1264860
Citation Formats
Materials Data on ThI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264860.
Materials Data on ThI3 by Materials Project. United States. doi:https://doi.org/10.17188/1264860
2020.
"Materials Data on ThI3 by Materials Project". United States. doi:https://doi.org/10.17188/1264860. https://www.osti.gov/servlets/purl/1264860. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1264860,
title = {Materials Data on ThI3 by Materials Project},
abstractNote = {ThI3 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a body-centered cubic geometry to eight I atoms. There are four shorter (3.29 Å) and four longer (3.33 Å) Th–I bond lengths. In the second Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are four shorter (3.25 Å) and four longer (3.27 Å) Th–I bond lengths. In the third Th site, Th is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Th–I bond distances ranging from 3.19–3.34 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the second I site, I is bonded in a 2-coordinate geometry to two equivalent Th atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms. In the fourth I site, I is bonded in a distorted trigonal non-coplanar geometry to three Th atoms.},
doi = {10.17188/1264860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}