U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCuTe by Materials Project
Abstract
NaCuTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Te2- atoms to form distorted NaTe5 trigonal bipyramids that share corners with twelve equivalent CuTe4 tetrahedra, corners with four equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with eight equivalent NaTe5 trigonal bipyramids. There are four shorter (3.19 Å) and one longer (3.22 Å) Na–Te bond lengths. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with four equivalent NaTe5 trigonal bipyramids. All Cu–Te bond lengths are 2.71 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-7434
- 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-Na-Te; NaCuTe; crystal structure
- OSTI Identifier:
- 1287980
- DOI:
- https://doi.org/10.17188/1287980
Citation Formats
Materials Data on NaCuTe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287980.
Materials Data on NaCuTe by Materials Project. United States. doi:https://doi.org/10.17188/1287980
2020.
"Materials Data on NaCuTe by Materials Project". United States. doi:https://doi.org/10.17188/1287980. https://www.osti.gov/servlets/purl/1287980. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1287980,
title = {Materials Data on NaCuTe by Materials Project},
abstractNote = {NaCuTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Te2- atoms to form distorted NaTe5 trigonal bipyramids that share corners with twelve equivalent CuTe4 tetrahedra, corners with four equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with eight equivalent NaTe5 trigonal bipyramids. There are four shorter (3.19 Å) and one longer (3.22 Å) Na–Te bond lengths. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent NaTe5 trigonal bipyramids, edges with four equivalent CuTe4 tetrahedra, and edges with four equivalent NaTe5 trigonal bipyramids. All Cu–Te bond lengths are 2.71 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1287980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}