U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr(NiSb)2 by Materials Project
Abstract
PrNi2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.37 Å) and four longer (3.45 Å) Pr–Sb bond lengths. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.57 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.53 Å) and four longer (2.56 Å) Ni–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Ni+1.50+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and five Ni+1.50+ atoms.
- Publication Date:
- Other Number(s):
- mp-1078736
- 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; Ni-Pr-Sb; Pr(NiSb)2; crystal structure
- OSTI Identifier:
- 1711220
- DOI:
- https://doi.org/10.17188/1711220
Citation Formats
Materials Data on Pr(NiSb)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711220.
Materials Data on Pr(NiSb)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711220
2020.
"Materials Data on Pr(NiSb)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711220. https://www.osti.gov/servlets/purl/1711220. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1711220,
title = {Materials Data on Pr(NiSb)2 by Materials Project},
abstractNote = {PrNi2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.37 Å) and four longer (3.45 Å) Pr–Sb bond lengths. There are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.57 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are one shorter (2.53 Å) and four longer (2.56 Å) Ni–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent Ni+1.50+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and five Ni+1.50+ atoms.},
doi = {10.17188/1711220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}