U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrFeSi2 by Materials Project
Abstract
PrFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.17 Å) and two longer (3.19 Å) Pr–Fe bond lengths. There are a spread of Pr–Si bond distances ranging from 3.11–3.22 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Si atoms. There are two shorter (2.26 Å) and two longer (2.31 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.57 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. Both Si–Si bond lengths are 2.40 Å.
- Publication Date:
- Other Number(s):
- mp-3275
- 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; Fe-Pr-Si; PrFeSi2; crystal structure
- OSTI Identifier:
- 1206369
- DOI:
- https://doi.org/10.17188/1206369
Citation Formats
Materials Data on PrFeSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206369.
Materials Data on PrFeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1206369
2020.
"Materials Data on PrFeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1206369. https://www.osti.gov/servlets/purl/1206369. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1206369,
title = {Materials Data on PrFeSi2 by Materials Project},
abstractNote = {PrFeSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Fe and ten Si atoms. There are two shorter (3.17 Å) and two longer (3.19 Å) Pr–Fe bond lengths. There are a spread of Pr–Si bond distances ranging from 3.11–3.22 Å. Fe is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Si atoms. There are two shorter (2.26 Å) and two longer (2.31 Å) Fe–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Fe, and one Si atom. The Si–Si bond length is 2.57 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Pr and three Si atoms. Both Si–Si bond lengths are 2.40 Å.},
doi = {10.17188/1206369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}