U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrInCu by Materials Project
Abstract
PrInCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Pr–Cu bond lengths. There are two shorter (3.32 Å) and four longer (3.45 Å) Pr–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Cu–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent In atoms. Both In–In bond lengths are 3.21 Å.
- Publication Date:
- Other Number(s):
- mp-1080085
- 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; Cu-In-Pr; PrInCu; crystal structure
- OSTI Identifier:
- 1681650
- DOI:
- https://doi.org/10.17188/1681650
Citation Formats
Materials Data on PrInCu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681650.
Materials Data on PrInCu by Materials Project. United States. doi:https://doi.org/10.17188/1681650
2020.
"Materials Data on PrInCu by Materials Project". United States. doi:https://doi.org/10.17188/1681650. https://www.osti.gov/servlets/purl/1681650. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681650,
title = {Materials Data on PrInCu by Materials Project},
abstractNote = {PrInCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.10 Å) and one longer (3.13 Å) Pr–Cu bond lengths. There are two shorter (3.32 Å) and four longer (3.45 Å) Pr–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Cu–In bond lengths are 2.90 Å. In is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent In atoms. Both In–In bond lengths are 3.21 Å.},
doi = {10.17188/1681650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}