U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3SnTe3 by Materials Project
Abstract
K3SnTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three 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 3.47–4.17 Å. In the second K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted corner and edge-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of K–Te bond distances ranging from 3.58–3.76 Å. In the third 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 3.50–4.00 Å. Sn3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. All Sn–Te bond lengths are 2.78 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Sn3+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Sn3+ atom. In the third Te2- site, Te2- is bonded to six K1+ and one Sn3+ atom to form distorted edge-sharing TeK6Sn pentagonalmore »
- Publication Date:
- Other Number(s):
- mp-540619
- 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; K-Sn-Te; K3SnTe3; crystal structure
- OSTI Identifier:
- 1264481
- DOI:
- https://doi.org/10.17188/1264481
Citation Formats
Materials Data on K3SnTe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264481.
Materials Data on K3SnTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1264481
2020.
"Materials Data on K3SnTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1264481. https://www.osti.gov/servlets/purl/1264481. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1264481,
title = {Materials Data on K3SnTe3 by Materials Project},
abstractNote = {K3SnTe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three 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 3.47–4.17 Å. In the second K1+ site, K1+ is bonded to six Te2- atoms to form a mixture of distorted corner and edge-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of K–Te bond distances ranging from 3.58–3.76 Å. In the third 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 3.50–4.00 Å. Sn3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. All Sn–Te bond lengths are 2.78 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Sn3+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Sn3+ atom. In the third Te2- site, Te2- is bonded to six K1+ and one Sn3+ atom to form distorted edge-sharing TeK6Sn pentagonal bipyramids.},
doi = {10.17188/1264481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}