Materials Data on NiBi6Rh by Materials Project

Abstract

RhNiBi6 crystallizes in the orthorhombic Pmc2_1 space group. The structure is one-dimensional and consists of two RhNiBi6 ribbons oriented in the (1, 0, 0) direction. Rh is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Rh–Ni bond lengths are 2.76 Å. There are a spread of Rh–Bi bond distances ranging from 2.79–2.83 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Rh and seven Bi atoms. There are a spread of Ni–Bi bond distances ranging from 2.71–2.93 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to two equivalent Rh and one Ni atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to one Rh and two equivalent Ni atoms. In the third Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Rh and one Ni atom. In the fourth Bi site, Bi is bonded in a 3-coordinate geometry to one Rh and two equivalent Ni atoms. In the fifth Bi site, Bi is bonded in a distorted single-bond geometry to one Ni atom. In the sixth Bi site, Bi is bonded in a single-bond geometry to one Rh atom.