U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(CuTe)3 by Materials Project
Abstract
Y(CuTe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent YTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Y–Te bond lengths are 3.09 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent YTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent YTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–62°. There are a spread of Cu–Te bond distances ranging from 2.58–2.71 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Y3+ and four equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1216225
- 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-Te-Y; Y(CuTe)3; crystal structure
- OSTI Identifier:
- 1732326
- DOI:
- https://doi.org/10.17188/1732326
Citation Formats
Materials Data on Y(CuTe)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732326.
Materials Data on Y(CuTe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1732326
2020.
"Materials Data on Y(CuTe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1732326. https://www.osti.gov/servlets/purl/1732326. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1732326,
title = {Materials Data on Y(CuTe)3 by Materials Project},
abstractNote = {Y(CuTe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with three equivalent YTe6 octahedra, and edges with six equivalent CuTe4 tetrahedra. All Y–Te bond lengths are 3.09 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent YTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, edges with two equivalent YTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–62°. There are a spread of Cu–Te bond distances ranging from 2.58–2.71 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Y3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1732326},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}