U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeSi4Ni9 by Materials Project
Abstract
CeNi9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.27 Å. There are three inequivalent Ni+1.44+ sites. In the first Ni+1.44+ site, Ni+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.45 Å) and two longer (2.50 Å) Ni–Si bond lengths. In the second Ni+1.44+ site, Ni+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.29–2.50 Å. In the third Ni+1.44+ site, Ni+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Ce3+, nine Ni+1.44+, and one Si4- atom. The Si–Si bond length is 2.68 Å.
- Publication Date:
- Other Number(s):
- mp-31051
- 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; Ce-Ni-Si; CeSi4Ni9; crystal structure
- OSTI Identifier:
- 1205378
- DOI:
- https://doi.org/10.17188/1205378
Citation Formats
Materials Data on CeSi4Ni9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205378.
Materials Data on CeSi4Ni9 by Materials Project. United States. doi:https://doi.org/10.17188/1205378
2020.
"Materials Data on CeSi4Ni9 by Materials Project". United States. doi:https://doi.org/10.17188/1205378. https://www.osti.gov/servlets/purl/1205378. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205378,
title = {Materials Data on CeSi4Ni9 by Materials Project},
abstractNote = {CeNi9Si4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent Si4- atoms. All Ce–Si bond lengths are 3.27 Å. There are three inequivalent Ni+1.44+ sites. In the first Ni+1.44+ site, Ni+1.44+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.45 Å) and two longer (2.50 Å) Ni–Si bond lengths. In the second Ni+1.44+ site, Ni+1.44+ is bonded to four equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi4 tetrahedra. There are a spread of Ni–Si bond distances ranging from 2.29–2.50 Å. In the third Ni+1.44+ site, Ni+1.44+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 12-coordinate geometry to two equivalent Ce3+, nine Ni+1.44+, and one Si4- atom. The Si–Si bond length is 2.68 Å.},
doi = {10.17188/1205378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}