U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr5NiSb2 by Materials Project
Abstract
Pr5NiSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing PrNiSb4 trigonal bipyramids. The Pr–Ni bond length is 2.86 Å. There are two shorter (3.26 Å) and two longer (3.28 Å) Pr–Sb bond lengths. In the second Pr site, Pr is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge and corner-sharing PrNiSb4 trigonal bipyramids. The Pr–Ni bond length is 2.99 Å. There are two shorter (3.29 Å) and two longer (3.34 Å) Pr–Sb bond lengths. In the third Pr site, Pr is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing PrNiSb4 square pyramids. The Pr–Ni bond length is 3.21 Å. There are two shorter (3.23 Å) and two longer (3.25 Å) Pr–Sb bond lengths. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ni and three equivalent Sb atoms. There are one shorter (2.83 Å) and one longer (3.04 Å) Pr–Nimore »
- Publication Date:
- Other Number(s):
- mp-1210359
- 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; Pr5NiSb2; crystal structure
- OSTI Identifier:
- 1683929
- DOI:
- https://doi.org/10.17188/1683929
Citation Formats
Materials Data on Pr5NiSb2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1683929.
Materials Data on Pr5NiSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1683929
2019.
"Materials Data on Pr5NiSb2 by Materials Project". United States. doi:https://doi.org/10.17188/1683929. https://www.osti.gov/servlets/purl/1683929. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1683929,
title = {Materials Data on Pr5NiSb2 by Materials Project},
abstractNote = {Pr5NiSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing PrNiSb4 trigonal bipyramids. The Pr–Ni bond length is 2.86 Å. There are two shorter (3.26 Å) and two longer (3.28 Å) Pr–Sb bond lengths. In the second Pr site, Pr is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge and corner-sharing PrNiSb4 trigonal bipyramids. The Pr–Ni bond length is 2.99 Å. There are two shorter (3.29 Å) and two longer (3.34 Å) Pr–Sb bond lengths. In the third Pr site, Pr is bonded to one Ni and four equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing PrNiSb4 square pyramids. The Pr–Ni bond length is 3.21 Å. There are two shorter (3.23 Å) and two longer (3.25 Å) Pr–Sb bond lengths. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ni and three equivalent Sb atoms. There are one shorter (2.83 Å) and one longer (3.04 Å) Pr–Ni bond lengths. There are a spread of Pr–Sb bond distances ranging from 3.42–3.77 Å. Ni is bonded to seven Pr atoms to form distorted edge-sharing NiPr7 pentagonal bipyramids. Sb is bonded in a 9-coordinate geometry to nine Pr atoms.},
doi = {10.17188/1683929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}