U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmCo9Si4 by Materials Project
Abstract
SmCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.23 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.43 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.31 Å. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. Si4- is bonded in a 12-coordinate geometry to two equivalent Sm3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.
- Publication Date:
- Other Number(s):
- mp-567852
- 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; Co-Si-Sm; SmCo9Si4; crystal structure
- OSTI Identifier:
- 1274080
- DOI:
- https://doi.org/10.17188/1274080
Citation Formats
Materials Data on SmCo9Si4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1274080.
Materials Data on SmCo9Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1274080
2017.
"Materials Data on SmCo9Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1274080. https://www.osti.gov/servlets/purl/1274080. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1274080,
title = {Materials Data on SmCo9Si4 by Materials Project},
abstractNote = {SmCo9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Sm–Si bond lengths are 3.23 Å. There are three inequivalent Co+1.44+ sites. In the first Co+1.44+ site, Co+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are two shorter (2.30 Å) and two longer (2.43 Å) Co–Si bond lengths. In the second Co+1.44+ site, Co+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Co–Si bond lengths are 2.31 Å. In the third Co+1.44+ site, Co+1.44+ is bonded in a 6-coordinate geometry to two equivalent Co+1.44+ and four equivalent Si4- atoms. Both Co–Co bond lengths are 2.31 Å. There are two shorter (2.46 Å) and two longer (2.53 Å) Co–Si bond lengths. Si4- is bonded in a 12-coordinate geometry to two equivalent Sm3+, nine Co+1.44+, and one Si4- atom. The Si–Si bond length is 2.77 Å.},
doi = {10.17188/1274080},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}