U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga3Hg by Materials Project
Abstract
HgGa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded to twelve Ga atoms to form HgGa12 cuboctahedra that share corners with four equivalent HgGa12 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with eight equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and eight longer (3.15 Å) Hg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Hg and eight Ga atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent GaGa8Hg4 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with eight equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with ten equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.15 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hg and eight equivalent Ga atoms.
- Publication Date:
- Other Number(s):
- mp-1184268
- 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; Ga-Hg; Ga3Hg; crystal structure
- OSTI Identifier:
- 1672909
- DOI:
- https://doi.org/10.17188/1672909
Citation Formats
Materials Data on Ga3Hg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672909.
Materials Data on Ga3Hg by Materials Project. United States. doi:https://doi.org/10.17188/1672909
2020.
"Materials Data on Ga3Hg by Materials Project". United States. doi:https://doi.org/10.17188/1672909. https://www.osti.gov/servlets/purl/1672909. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1672909,
title = {Materials Data on Ga3Hg by Materials Project},
abstractNote = {HgGa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded to twelve Ga atoms to form HgGa12 cuboctahedra that share corners with four equivalent HgGa12 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with eight equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and eight longer (3.15 Å) Hg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Hg and eight Ga atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent GaGa8Hg4 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with eight equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with ten equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.15 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hg and eight equivalent Ga atoms.},
doi = {10.17188/1672909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}