Materials Data on Pr5NiSb2 by Materials Project

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.