U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr2Ga12Pd by Materials Project
Abstract
Pr2PdGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.21–3.39 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. There are four shorter (2.56 Å) and four longer (2.57 Å) Pd–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.65 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Pd, and two equivalent Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.58 Å.
- Publication Date:
- Other Number(s):
- mp-1193902
- 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; Ga-Pd-Pr; Pr2Ga12Pd; crystal structure
- OSTI Identifier:
- 1726816
- DOI:
- https://doi.org/10.17188/1726816
Citation Formats
Materials Data on Pr2Ga12Pd by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1726816.
Materials Data on Pr2Ga12Pd by Materials Project. United States. doi:https://doi.org/10.17188/1726816
2019.
"Materials Data on Pr2Ga12Pd by Materials Project". United States. doi:https://doi.org/10.17188/1726816. https://www.osti.gov/servlets/purl/1726816. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1726816,
title = {Materials Data on Pr2Ga12Pd by Materials Project},
abstractNote = {Pr2PdGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.21–3.39 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. There are four shorter (2.56 Å) and four longer (2.57 Å) Pd–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.65 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Pd, and two equivalent Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.58 Å.},
doi = {10.17188/1726816},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}