Materials Data on PrSiNi by Materials Project

Abstract

PrNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr3+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing PrSi6 pentagonal pyramids. There are two shorter (3.15 Å) and four longer (3.16 Å) Pr–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three Si4- atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. There are two shorter (3.15 Å) and four longer (3.16 Å) Si–Pr bond lengths. All Si–Ni bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms.