U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on In2CuAsSe2 by Materials Project
Abstract
CuIn2AsSe2 is Stannite-like structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent InAs2Se2 tetrahedra. All Cu–Se bond lengths are 2.47 Å. In3+ is bonded to two equivalent As3- and two equivalent Se2- atoms to form InAs2Se2 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent InAs2Se2 tetrahedra. Both In–As bond lengths are 2.65 Å. Both In–Se bond lengths are 2.67 Å. As3- is bonded to four equivalent In3+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn2Cu2 tetrahedra. Se2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form SeIn2Cu2 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn2Cu2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1223937
- 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-Cu-In-Se; In2CuAsSe2; crystal structure
- OSTI Identifier:
- 1718387
- DOI:
- https://doi.org/10.17188/1718387
Citation Formats
Materials Data on In2CuAsSe2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1718387.
Materials Data on In2CuAsSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1718387
2019.
"Materials Data on In2CuAsSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1718387. https://www.osti.gov/servlets/purl/1718387. Pub date:Sat Jan 12 23:00:00 EST 2019
@article{osti_1718387,
title = {Materials Data on In2CuAsSe2 by Materials Project},
abstractNote = {CuIn2AsSe2 is Stannite-like structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent InAs2Se2 tetrahedra. All Cu–Se bond lengths are 2.47 Å. In3+ is bonded to two equivalent As3- and two equivalent Se2- atoms to form InAs2Se2 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent InAs2Se2 tetrahedra. Both In–As bond lengths are 2.65 Å. Both In–Se bond lengths are 2.67 Å. As3- is bonded to four equivalent In3+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn2Cu2 tetrahedra. Se2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form SeIn2Cu2 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn2Cu2 tetrahedra.},
doi = {10.17188/1718387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}