U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrGa6 by Materials Project
Abstract
PrGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing PrGa12 cuboctahedra. There are four shorter (3.18 Å) and eight longer (3.30 Å) Pr–Ga bond lengths. There are two 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 (2.50 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.50 Å.
- Publication Date:
- Other Number(s):
- mp-1104070
- 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-Pr; PrGa6; crystal structure
- OSTI Identifier:
- 1746385
- DOI:
- https://doi.org/10.17188/1746385
Citation Formats
Materials Data on PrGa6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746385.
Materials Data on PrGa6 by Materials Project. United States. doi:https://doi.org/10.17188/1746385
2020.
"Materials Data on PrGa6 by Materials Project". United States. doi:https://doi.org/10.17188/1746385. https://www.osti.gov/servlets/purl/1746385. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746385,
title = {Materials Data on PrGa6 by Materials Project},
abstractNote = {PrGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded to twelve Ga atoms to form a mixture of distorted edge and face-sharing PrGa12 cuboctahedra. There are four shorter (3.18 Å) and eight longer (3.30 Å) Pr–Ga bond lengths. There are two 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 (2.50 Å) and four longer (2.63 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.50 Å.},
doi = {10.17188/1746385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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