U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrIn5Rh by Materials Project
Abstract
PrRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with four equivalent PrIn12 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra. There are eight shorter (3.31 Å) and four longer (3.34 Å) Pr–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.31 Å. In the second In site, In is bonded to four equivalent Pr and eight equivalent In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1025283
- 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; crystal structure; In-Pr-Rh; PrIn5Rh
- OSTI Identifier:
- 1355184
- DOI:
- https://doi.org/10.17188/1355184
Citation Formats
Materials Data on PrIn5Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355184.
Materials Data on PrIn5Rh by Materials Project. United States. doi:https://doi.org/10.17188/1355184
2020.
"Materials Data on PrIn5Rh by Materials Project". United States. doi:https://doi.org/10.17188/1355184. https://www.osti.gov/servlets/purl/1355184. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1355184,
title = {Materials Data on PrIn5Rh by Materials Project},
abstractNote = {PrRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with four equivalent PrIn12 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra. There are eight shorter (3.31 Å) and four longer (3.34 Å) Pr–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.31 Å. In the second In site, In is bonded to four equivalent Pr and eight equivalent In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra.},
doi = {10.17188/1355184},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}