U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TaGa3 by Materials Project
Abstract
TaGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ta is bonded to twelve Ga atoms to form TaGa12 cuboctahedra that share corners with four equivalent TaGa12 cuboctahedra, edges with eight equivalent TaGa12 cuboctahedra, edges with sixteen equivalent GaTa4Ga8 cuboctahedra, faces with four equivalent TaGa12 cuboctahedra, and faces with eight equivalent GaTa4Ga8 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.91 Å) Ta–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Ta and eight equivalent Ga atoms. All Ga–Ga bond lengths are 2.91 Å. In the second Ga site, Ga is bonded to four equivalent Ta and eight Ga atoms to form GaTa4Ga8 cuboctahedra that share corners with twelve equivalent GaTa4Ga8 cuboctahedra, edges with eight equivalent TaGa12 cuboctahedra, edges with eight equivalent GaTa4Ga8 cuboctahedra, faces with four equivalent TaGa12 cuboctahedra, and faces with ten equivalent GaTa4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.71 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-11416
- 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; TaGa3; Ga-Ta
- OSTI Identifier:
- 1187814
- DOI:
- https://doi.org/10.17188/1187814
Citation Formats
The Materials Project. Materials Data on TaGa3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187814.
The Materials Project. Materials Data on TaGa3 by Materials Project. United States. doi:https://doi.org/10.17188/1187814
The Materials Project. 2020.
"Materials Data on TaGa3 by Materials Project". United States. doi:https://doi.org/10.17188/1187814. https://www.osti.gov/servlets/purl/1187814. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187814,
title = {Materials Data on TaGa3 by Materials Project},
author = {The Materials Project},
abstractNote = {TaGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ta is bonded to twelve Ga atoms to form TaGa12 cuboctahedra that share corners with four equivalent TaGa12 cuboctahedra, edges with eight equivalent TaGa12 cuboctahedra, edges with sixteen equivalent GaTa4Ga8 cuboctahedra, faces with four equivalent TaGa12 cuboctahedra, and faces with eight equivalent GaTa4Ga8 cuboctahedra. There are four shorter (2.71 Å) and eight longer (2.91 Å) Ta–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Ta and eight equivalent Ga atoms. All Ga–Ga bond lengths are 2.91 Å. In the second Ga site, Ga is bonded to four equivalent Ta and eight Ga atoms to form GaTa4Ga8 cuboctahedra that share corners with twelve equivalent GaTa4Ga8 cuboctahedra, edges with eight equivalent TaGa12 cuboctahedra, edges with eight equivalent GaTa4Ga8 cuboctahedra, faces with four equivalent TaGa12 cuboctahedra, and faces with ten equivalent GaTa4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.71 Å.},
doi = {10.17188/1187814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}