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Title: 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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1210359
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr5NiSb2; Ni-Pr-Sb
OSTI Identifier:
1683929
DOI:
https://doi.org/10.17188/1683929

Citation Formats

The Materials Project. Materials Data on Pr5NiSb2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683929.
The Materials Project. Materials Data on Pr5NiSb2 by Materials Project. United States. doi:https://doi.org/10.17188/1683929
The Materials Project. 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:Sat Jan 12 00:00:00 EST 2019
@article{osti_1683929,
title = {Materials Data on Pr5NiSb2 by Materials Project},
author = {The 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}
}