U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnRh3 by Materials Project
Abstract
Rh3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with twelve equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.86 Å) Rh–Rh bond lengths. All Rh–Sn bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form RhSn4Rh8 cuboctahedra that share corners with four equivalent RhSn4Rh8 cuboctahedra, corners with eight equivalent SnRh12 cuboctahedra, edges with twenty-four RhSn4Rh8 cuboctahedra, faces with six equivalent SnRh12 cuboctahedra, and faces with twelve RhSn4Rh8 cuboctahedra. All Rh–Sn bond lengths are 2.86 Å. Sn is bonded to twelve Rh atoms to form SnRh12 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with eight equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, andmore »
- Publication Date:
- Other Number(s):
- mp-978974
- 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; Rh-Sn; SnRh3; crystal structure
- OSTI Identifier:
- 1316053
- DOI:
- https://doi.org/10.17188/1316053
Citation Formats
Materials Data on SnRh3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316053.
Materials Data on SnRh3 by Materials Project. United States. doi:https://doi.org/10.17188/1316053
2020.
"Materials Data on SnRh3 by Materials Project". United States. doi:https://doi.org/10.17188/1316053. https://www.osti.gov/servlets/purl/1316053. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316053,
title = {Materials Data on SnRh3 by Materials Project},
abstractNote = {Rh3Sn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with twelve equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.86 Å) Rh–Rh bond lengths. All Rh–Sn bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form RhSn4Rh8 cuboctahedra that share corners with four equivalent RhSn4Rh8 cuboctahedra, corners with eight equivalent SnRh12 cuboctahedra, edges with twenty-four RhSn4Rh8 cuboctahedra, faces with six equivalent SnRh12 cuboctahedra, and faces with twelve RhSn4Rh8 cuboctahedra. All Rh–Sn bond lengths are 2.86 Å. Sn is bonded to twelve Rh atoms to form SnRh12 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with eight equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra.},
doi = {10.17188/1316053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}