U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2PtI5 by Materials Project
Abstract
K2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.63–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Pt–I bond distances ranging from 2.69–2.90 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to two equivalent K and one Pt atom. In the second I site, I is bonded to four equivalent K and one Pt atom to form a mixture of distorted edge and corner-sharing IK4Pt trigonal bipyramids. In the third I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.
- Publication Date:
- Other Number(s):
- mp-1224094
- 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; crystal structure; I-K-Pt; K2PtI5
- OSTI Identifier:
- 1706954
- DOI:
- https://doi.org/10.17188/1706954
Citation Formats
Materials Data on K2PtI5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706954.
Materials Data on K2PtI5 by Materials Project. United States. doi:https://doi.org/10.17188/1706954
2020.
"Materials Data on K2PtI5 by Materials Project". United States. doi:https://doi.org/10.17188/1706954. https://www.osti.gov/servlets/purl/1706954. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1706954,
title = {Materials Data on K2PtI5 by Materials Project},
abstractNote = {K2PtI5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.63–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of Pt–I bond distances ranging from 2.69–2.90 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to two equivalent K and one Pt atom. In the second I site, I is bonded to four equivalent K and one Pt atom to form a mixture of distorted edge and corner-sharing IK4Pt trigonal bipyramids. In the third I site, I is bonded in a rectangular see-saw-like geometry to two equivalent K and two equivalent Pt atoms.},
doi = {10.17188/1706954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}