U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgTlCu3Se4 by Materials Project
Abstract
MgCu3TlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Mg–Se bond lengths are 2.55 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.62 Å. Tl1+ is bonded to four equivalent Se2- atoms to form distorted TlSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.66 Å. Se2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Cu+1.67+, and one Tl1+ atom.
- Publication Date:
- Other Number(s):
- mp-1180325
- 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-Mg-Se-Tl; MgTlCu3Se4; crystal structure
- OSTI Identifier:
- 1676566
- DOI:
- https://doi.org/10.17188/1676566
Citation Formats
Materials Data on MgTlCu3Se4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676566.
Materials Data on MgTlCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1676566
2019.
"Materials Data on MgTlCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1676566. https://www.osti.gov/servlets/purl/1676566. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1676566,
title = {Materials Data on MgTlCu3Se4 by Materials Project},
abstractNote = {MgCu3TlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Mg–Se bond lengths are 2.55 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.62 Å. Tl1+ is bonded to four equivalent Se2- atoms to form distorted TlSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.66 Å. Se2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Cu+1.67+, and one Tl1+ atom.},
doi = {10.17188/1676566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}