U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Rh by Materials Project
Abstract
K3Rh is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Rh atoms to form distorted KK4Rh4 tetrahedra that share corners with eight equivalent KK8Rh4 cuboctahedra, corners with eight equivalent KK4Rh4 tetrahedra, edges with four equivalent KK8Rh4 cuboctahedra, edges with twelve equivalent KK4Rh4 tetrahedra, and faces with six equivalent KK4Rh4 tetrahedra. All K–K bond lengths are 3.57 Å. All K–Rh bond lengths are 3.57 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Rh atoms to form KK8Rh4 cuboctahedra that share corners with four equivalent KK8Rh4 cuboctahedra, corners with sixteen equivalent KK4Rh4 tetrahedra, edges with eight equivalent KK8Rh4 cuboctahedra, edges with eight equivalent KK4Rh4 tetrahedra, and faces with four equivalent KK8Rh4 cuboctahedra. All K–Rh bond lengths are 4.04 Å. Rh is bonded in a distorted body-centered cubic geometry to twelve K atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185110
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K3Rh; K-Rh
- OSTI Identifier:
- 1740611
- DOI:
- https://doi.org/10.17188/1740611
Citation Formats
The Materials Project. Materials Data on K3Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740611.
The Materials Project. Materials Data on K3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1740611
The Materials Project. 2020.
"Materials Data on K3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1740611. https://www.osti.gov/servlets/purl/1740611. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740611,
title = {Materials Data on K3Rh by Materials Project},
author = {The Materials Project},
abstractNote = {K3Rh is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Rh atoms to form distorted KK4Rh4 tetrahedra that share corners with eight equivalent KK8Rh4 cuboctahedra, corners with eight equivalent KK4Rh4 tetrahedra, edges with four equivalent KK8Rh4 cuboctahedra, edges with twelve equivalent KK4Rh4 tetrahedra, and faces with six equivalent KK4Rh4 tetrahedra. All K–K bond lengths are 3.57 Å. All K–Rh bond lengths are 3.57 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Rh atoms to form KK8Rh4 cuboctahedra that share corners with four equivalent KK8Rh4 cuboctahedra, corners with sixteen equivalent KK4Rh4 tetrahedra, edges with eight equivalent KK8Rh4 cuboctahedra, edges with eight equivalent KK4Rh4 tetrahedra, and faces with four equivalent KK8Rh4 cuboctahedra. All K–Rh bond lengths are 4.04 Å. Rh is bonded in a distorted body-centered cubic geometry to twelve K atoms.},
doi = {10.17188/1740611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}