U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScCu3HgSe4 by Materials Project
Abstract
ScCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sc3+ is bonded to four equivalent Se2- atoms to form ScSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Sc–Se bond lengths are 2.50 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent ScSe4 tetrahedra. All Cu–Se bond lengths are 2.55 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent ScSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.65 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Sc3+, three equivalent Cu1+, and one Hg2+ atom.
- Publication Date:
- Other Number(s):
- mp-1179516
- 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-Hg-Sc-Se; ScCu3HgSe4; crystal structure
- OSTI Identifier:
- 1710975
- DOI:
- https://doi.org/10.17188/1710975
Citation Formats
Materials Data on ScCu3HgSe4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1710975.
Materials Data on ScCu3HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1710975
2019.
"Materials Data on ScCu3HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1710975. https://www.osti.gov/servlets/purl/1710975. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1710975,
title = {Materials Data on ScCu3HgSe4 by Materials Project},
abstractNote = {ScCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Sc3+ is bonded to four equivalent Se2- atoms to form ScSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Sc–Se bond lengths are 2.50 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent ScSe4 tetrahedra. All Cu–Se bond lengths are 2.55 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent ScSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.65 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Sc3+, three equivalent Cu1+, and one Hg2+ atom.},
doi = {10.17188/1710975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}