U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K6CdTe4 by Materials Project
Abstract
K6CdTe4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.18 Å. In the second K1+ site, K1+ is bonded to four Te2- atoms to form distorted KTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with eight equivalent KTe4 tetrahedra, and an edgeedge with one CdTe4 tetrahedra. There are a spread of K–Te bond distances ranging from 3.46–3.57 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent KTe4 tetrahedra and edges with three equivalent KTe4 tetrahedra. There are three shorter (2.90 Å) and one longer (2.92 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to nine K1+ and one Cd2+ atom.
- Publication Date:
- Other Number(s):
- mp-17698
- 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; Cd-K-Te; K6CdTe4; crystal structure
- OSTI Identifier:
- 1192640
- DOI:
- https://doi.org/10.17188/1192640
Citation Formats
Materials Data on K6CdTe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192640.
Materials Data on K6CdTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1192640
2020.
"Materials Data on K6CdTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1192640. https://www.osti.gov/servlets/purl/1192640. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192640,
title = {Materials Data on K6CdTe4 by Materials Project},
abstractNote = {K6CdTe4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.18 Å. In the second K1+ site, K1+ is bonded to four Te2- atoms to form distorted KTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with eight equivalent KTe4 tetrahedra, and an edgeedge with one CdTe4 tetrahedra. There are a spread of K–Te bond distances ranging from 3.46–3.57 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent KTe4 tetrahedra and edges with three equivalent KTe4 tetrahedra. There are three shorter (2.90 Å) and one longer (2.92 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to nine K1+ and one Cd2+ atom.},
doi = {10.17188/1192640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}