Materials Data on Pr2(NiAs)3 by Materials Project

Abstract

Pr2(NiAs)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Pr2(NiAs)3 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a linear geometry to one Ni1+ and one As3- atom. The Pr–Ni bond length is 2.25 Å. The Pr–As bond length is 2.64 Å. In the second Pr3+ site, Pr3+ is bonded in a linear geometry to one Ni1+ and one As3- atom. The Pr–Ni bond length is 2.25 Å. The Pr–As bond length is 2.64 Å. There are three inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a linear geometry to one Pr3+ and one As3- atom. The Ni–As bond length is 2.17 Å. In the second Ni1+ site, Ni1+ is bonded in a linear geometry to one Pr3+ and one As3- atom. The Ni–As bond length is 2.17 Å. In the third Ni1+ site, Ni1+ is bonded in a linear geometry to two As3- atoms. Both Ni–As bond lengths are 2.21 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a linear geometry to one Pr3+ and one Ni1+ atom. In the second As3- site, As3- is bonded in a linear geometry to one Pr3+ and one Ni1+ atom. In the third As3- site, As3- is bonded in a linear geometry to two Ni1+ atoms.