U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrGaCo2 by Materials Project
Abstract
PrCo2Ga crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Pr is bonded in a 2-coordinate geometry to ten Co and three equivalent Ga atoms. There are two shorter (3.01 Å) and eight longer (3.23 Å) Pr–Co bond lengths. There are two shorter (3.03 Å) and one longer (3.08 Å) Pr–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Pr, four Co, and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing CoPr4Ga4Co4 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.66 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.42 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six equivalent Pr, two equivalent Co, and two equivalent Ga atoms. Both Co–Ga bond lengths are 2.40 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Pr and six Co atoms.
- Publication Date:
- Other Number(s):
- mp-30554
- 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; Co-Ga-Pr; crystal structure; PrGaCo2
- OSTI Identifier:
- 1204947
- DOI:
- https://doi.org/10.17188/1204947
Citation Formats
Materials Data on PrGaCo2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204947.
Materials Data on PrGaCo2 by Materials Project. United States. doi:https://doi.org/10.17188/1204947
2020.
"Materials Data on PrGaCo2 by Materials Project". United States. doi:https://doi.org/10.17188/1204947. https://www.osti.gov/servlets/purl/1204947. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1204947,
title = {Materials Data on PrGaCo2 by Materials Project},
abstractNote = {PrCo2Ga crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Pr is bonded in a 2-coordinate geometry to ten Co and three equivalent Ga atoms. There are two shorter (3.01 Å) and eight longer (3.23 Å) Pr–Co bond lengths. There are two shorter (3.03 Å) and one longer (3.08 Å) Pr–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Pr, four Co, and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing CoPr4Ga4Co4 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.66 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.42 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to six equivalent Pr, two equivalent Co, and two equivalent Ga atoms. Both Co–Ga bond lengths are 2.40 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Pr and six Co atoms.},
doi = {10.17188/1204947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}