U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThGa4Co by Materials Project
Abstract
ThCoGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to two equivalent Co and thirteen Ga atoms. Both Th–Co bond lengths are 3.25 Å. There are a spread of Th–Ga bond distances ranging from 3.03–3.36 Å. Co is bonded in a 7-coordinate geometry to two equivalent Th and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Th and six Ga atoms. There are four shorter (2.93 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Th, three equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Th, one Co, and eight Ga atoms.
- Publication Date:
- Other Number(s):
- mp-22767
- 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; Co-Ga-Th; ThGa4Co; crystal structure
- OSTI Identifier:
- 1198960
- DOI:
- https://doi.org/10.17188/1198960
Citation Formats
Materials Data on ThGa4Co by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1198960.
Materials Data on ThGa4Co by Materials Project. United States. doi:https://doi.org/10.17188/1198960
2017.
"Materials Data on ThGa4Co by Materials Project". United States. doi:https://doi.org/10.17188/1198960. https://www.osti.gov/servlets/purl/1198960. Pub date:Wed May 10 04:00:00 UTC 2017
@article{osti_1198960,
title = {Materials Data on ThGa4Co by Materials Project},
abstractNote = {ThCoGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 9-coordinate geometry to two equivalent Co and thirteen Ga atoms. Both Th–Co bond lengths are 3.25 Å. There are a spread of Th–Ga bond distances ranging from 3.03–3.36 Å. Co is bonded in a 7-coordinate geometry to two equivalent Th and seven Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent Th and six Ga atoms. There are four shorter (2.93 Å) and two longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Th, three equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–3.03 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to three equivalent Th, one Co, and eight Ga atoms.},
doi = {10.17188/1198960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}