U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on InGa(CuTe2)2 by Materials Project
Abstract
InGa(CuTe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.58 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All In–Te bond lengths are 2.83 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded to two Cu1+, one In3+, and one Ga3+ atom to form corner-sharing TeInGaCu2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1224050
- 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; Cu-Ga-In-Te; InGa(CuTe2)2; crystal structure
- OSTI Identifier:
- 1731753
- DOI:
- https://doi.org/10.17188/1731753
Citation Formats
Materials Data on InGa(CuTe2)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1731753.
Materials Data on InGa(CuTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1731753
2019.
"Materials Data on InGa(CuTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1731753. https://www.osti.gov/servlets/purl/1731753. Pub date:Sat Jan 12 23:00:00 EST 2019
@article{osti_1731753,
title = {Materials Data on InGa(CuTe2)2 by Materials Project},
abstractNote = {InGa(CuTe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent InTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.58 Å. In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All In–Te bond lengths are 2.83 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded to two Cu1+, one In3+, and one Ga3+ atom to form corner-sharing TeInGaCu2 tetrahedra.},
doi = {10.17188/1731753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 23:00:00 EST 2019},
month = {Sat Jan 12 23:00:00 EST 2019}
}