Materials Data on Pr2ZnBi4 by Materials Project

Abstract

Pr2ZnBi4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both Pr–Zn bond lengths are 3.34 Å. There are four shorter (3.36 Å) and four longer (3.50 Å) Pr–Bi bond lengths. Zn is bonded in a distorted body-centered cubic geometry to four equivalent Pr and four equivalent Bi atoms. All Zn–Bi bond lengths are 2.82 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.26 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Bi atoms. In the third Bi site, Bi is bonded in a 6-coordinate geometry to four equivalent Pr and two equivalent Zn atoms.