U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuCuTe2 by Materials Project
Abstract
LuCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Lu–Te bond lengths are 3.03 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent LuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent LuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.87 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1206615
- 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-Lu-Te; LuCuTe2; crystal structure
- OSTI Identifier:
- 1672285
- DOI:
- https://doi.org/10.17188/1672285
Citation Formats
Materials Data on LuCuTe2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1672285.
Materials Data on LuCuTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1672285
2019.
"Materials Data on LuCuTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1672285. https://www.osti.gov/servlets/purl/1672285. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1672285,
title = {Materials Data on LuCuTe2 by Materials Project},
abstractNote = {LuCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Lu–Te bond lengths are 3.03 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent LuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent LuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.87 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1672285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}