U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy2Si3Pd by Materials Project
Abstract
Dy2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.20 Å) Dy–Pd bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing DySi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.
- Publication Date:
- Other Number(s):
- mp-1213111
- 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; Dy-Pd-Si; Dy2Si3Pd; crystal structure
- OSTI Identifier:
- 1679897
- DOI:
- https://doi.org/10.17188/1679897
Citation Formats
Materials Data on Dy2Si3Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679897.
Materials Data on Dy2Si3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1679897
2020.
"Materials Data on Dy2Si3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1679897. https://www.osti.gov/servlets/purl/1679897. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1679897,
title = {Materials Data on Dy2Si3Pd by Materials Project},
abstractNote = {Dy2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.20 Å) Dy–Pd bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing DySi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.},
doi = {10.17188/1679897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}