U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YCu3HgSe4 by Materials Project
Abstract
YCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Y3+ is bonded to four equivalent Se2- atoms to form YSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Y–Se bond lengths are 2.62 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 YSe4 tetrahedra. All Cu–Se bond lengths are 2.62 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent YSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.63 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Y3+, three equivalent Cu1+, and one Hg2+ atom.
- Publication Date:
- Other Number(s):
- mp-1178710
- 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-Se-Y; YCu3HgSe4; crystal structure
- OSTI Identifier:
- 1708246
- DOI:
- https://doi.org/10.17188/1708246
Citation Formats
Materials Data on YCu3HgSe4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708246.
Materials Data on YCu3HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1708246
2019.
"Materials Data on YCu3HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1708246. https://www.osti.gov/servlets/purl/1708246. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1708246,
title = {Materials Data on YCu3HgSe4 by Materials Project},
abstractNote = {YCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Y3+ is bonded to four equivalent Se2- atoms to form YSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Y–Se bond lengths are 2.62 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 YSe4 tetrahedra. All Cu–Se bond lengths are 2.62 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent YSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.63 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Y3+, three equivalent Cu1+, and one Hg2+ atom.},
doi = {10.17188/1708246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}