U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2ReI6 by Materials Project
Abstract
K2ReI6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.96 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.62–3.94 Å. Re4+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) Re–I bond lengths. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three K1+more »
- Publication Date:
- Other Number(s):
- mp-30216
- 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; I-K-Re; K2ReI6; crystal structure
- OSTI Identifier:
- 1204628
- DOI:
- https://doi.org/10.17188/1204628
Citation Formats
Materials Data on K2ReI6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204628.
Materials Data on K2ReI6 by Materials Project. United States. doi:https://doi.org/10.17188/1204628
2020.
"Materials Data on K2ReI6 by Materials Project". United States. doi:https://doi.org/10.17188/1204628. https://www.osti.gov/servlets/purl/1204628. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204628,
title = {Materials Data on K2ReI6 by Materials Project},
abstractNote = {K2ReI6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.63–3.96 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.62–3.94 Å. Re4+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) Re–I bond lengths. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the third I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fourth I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Re4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three K1+ and one Re4+ atom. In the sixth I1- site, I1- is bonded in a distorted see-saw-like geometry to three K1+ and one Re4+ atom.},
doi = {10.17188/1204628},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}