Materials Data on Pr(NiBi)2 by Materials Project

Abstract

Pr(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Ni and eight Bi atoms. There are four shorter (3.33 Å) and four longer (3.61 Å) Pr–Ni bond lengths. There are four shorter (3.47 Å) and four longer (3.63 Å) Pr–Bi bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Bi atoms. There are one shorter (2.58 Å) and four longer (2.67 Å) Ni–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to four equivalent Pr and five Ni atoms.