U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLaCuTe4 by Materials Project
Abstract
KLaCuTe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.50- atoms. There are four shorter (3.49 Å) and four longer (3.73 Å) K–Te bond lengths. La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.31–3.41 Å. Cu2+ is bonded to four equivalent Te+1.50- atoms to form a mixture of corner and edge-sharing CuTe4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.70 Å) Cu–Te bond lengths. There are four inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent La3+, and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.18 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Cu2+ atoms. In the fourth Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent La3+, and four equivalent Te+1.50- atoms.
- Publication Date:
- Other Number(s):
- mp-1211368
- 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-K-La-Te; KLaCuTe4; crystal structure
- OSTI Identifier:
- 1751297
- DOI:
- https://doi.org/10.17188/1751297
Citation Formats
Materials Data on KLaCuTe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751297.
Materials Data on KLaCuTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1751297
2020.
"Materials Data on KLaCuTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1751297. https://www.osti.gov/servlets/purl/1751297. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1751297,
title = {Materials Data on KLaCuTe4 by Materials Project},
abstractNote = {KLaCuTe4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Te+1.50- atoms. There are four shorter (3.49 Å) and four longer (3.73 Å) K–Te bond lengths. La3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of La–Te bond distances ranging from 3.31–3.41 Å. Cu2+ is bonded to four equivalent Te+1.50- atoms to form a mixture of corner and edge-sharing CuTe4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.70 Å) Cu–Te bond lengths. There are four inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent La3+, and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.18 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 5-coordinate geometry to five equivalent La3+ atoms. In the third Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Cu2+ atoms. In the fourth Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent La3+, and four equivalent Te+1.50- atoms.},
doi = {10.17188/1751297},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}