U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrGa2Ni by Materials Project
Abstract
PrNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ga atoms. All Pr–Ni bond lengths are 3.23 Å. There are a spread of Pr–Ga bond distances ranging from 3.21–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pr, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.53 Å. There are one shorter (2.41 Å) and four longer (2.46 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.54 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1025536
- 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-Ni-Pr; PrGa2Ni; crystal structure
- OSTI Identifier:
- 1355580
- DOI:
- https://doi.org/10.17188/1355580
Citation Formats
Materials Data on PrGa2Ni by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1355580.
Materials Data on PrGa2Ni by Materials Project. United States. doi:https://doi.org/10.17188/1355580
2017.
"Materials Data on PrGa2Ni by Materials Project". United States. doi:https://doi.org/10.17188/1355580. https://www.osti.gov/servlets/purl/1355580. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1355580,
title = {Materials Data on PrGa2Ni by Materials Project},
abstractNote = {PrNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ga atoms. All Pr–Ni bond lengths are 3.23 Å. There are a spread of Pr–Ga bond distances ranging from 3.21–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pr, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.53 Å. There are one shorter (2.41 Å) and four longer (2.46 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.54 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.},
doi = {10.17188/1355580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}