U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeSi3Ir by Materials Project
Abstract
CeIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are one shorter (3.35 Å) and four longer (3.37 Å) Ce–Ir bond lengths. There are eight shorter (3.10 Å) and four longer (3.39 Å) Ce–Si bond lengths. Ir is bonded in a 5-coordinate geometry to five equivalent Ce and five Si atoms. There are one shorter (2.37 Å) and four longer (2.38 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Ce, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Ce, two equivalent Ir, and two equivalent Si atoms.
- Publication Date:
- Other Number(s):
- mp-1068906
- 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-Ir-Si; CeSi3Ir; crystal structure
- OSTI Identifier:
- 1711033
- DOI:
- https://doi.org/10.17188/1711033
Citation Formats
Materials Data on CeSi3Ir by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711033.
Materials Data on CeSi3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1711033
2020.
"Materials Data on CeSi3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1711033. https://www.osti.gov/servlets/purl/1711033. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1711033,
title = {Materials Data on CeSi3Ir by Materials Project},
abstractNote = {CeIrSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to five equivalent Ir and twelve Si atoms. There are one shorter (3.35 Å) and four longer (3.37 Å) Ce–Ir bond lengths. There are eight shorter (3.10 Å) and four longer (3.39 Å) Ce–Si bond lengths. Ir is bonded in a 5-coordinate geometry to five equivalent Ce and five Si atoms. There are one shorter (2.37 Å) and four longer (2.38 Å) Ir–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Ce, one Ir, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Ce, two equivalent Ir, and two equivalent Si atoms.},
doi = {10.17188/1711033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}