U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga4BiAs3 by Materials Project
Abstract
Ga4As3Bi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two bismuth molecules and one Ga4As3 framework. In the Ga4As3 framework, there are three inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.48 Å. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ga–As bond lengths. In the third Ga2+ site, Ga2+ is bonded to four As3- atoms to form corner-sharing GaAs4 tetrahedra. There are two shorter (2.56 Å) and two longer (2.58 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra. In the second As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1224831
- 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; As-Bi-Ga; Ga4BiAs3; crystal structure
- OSTI Identifier:
- 1665615
- DOI:
- https://doi.org/10.17188/1665615
Citation Formats
Materials Data on Ga4BiAs3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1665615.
Materials Data on Ga4BiAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1665615
2019.
"Materials Data on Ga4BiAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1665615. https://www.osti.gov/servlets/purl/1665615. Pub date:Sat Jan 12 23:00:00 EST 2019
@article{osti_1665615,
title = {Materials Data on Ga4BiAs3 by Materials Project},
abstractNote = {Ga4As3Bi crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two bismuth molecules and one Ga4As3 framework. In the Ga4As3 framework, there are three inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a bent 120 degrees geometry to two equivalent As3- atoms. Both Ga–As bond lengths are 2.48 Å. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.53 Å) Ga–As bond lengths. In the third Ga2+ site, Ga2+ is bonded to four As3- atoms to form corner-sharing GaAs4 tetrahedra. There are two shorter (2.56 Å) and two longer (2.58 Å) Ga–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra. In the second As3- site, As3- is bonded to four Ga2+ atoms to form corner-sharing AsGa4 tetrahedra.},
doi = {10.17188/1665615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}