Materials Data on NiAs2Rh3 by Materials Project

Abstract

Rh3NiAs2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to five As atoms. There are a spread of Rh–As bond distances ranging from 2.47–2.91 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ni and four As atoms. There are one shorter (2.92 Å) and one longer (2.98 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.46–2.49 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ni and four As atoms. There are two shorter (2.78 Å) and two longer (2.89 Å) Rh–Ni bond lengths. There are a spread of Rh–As bond distances ranging from 2.37–2.52 Å. Ni is bonded in a 3-coordinate geometry to six Rh and five As atoms. There are a spread of Ni–As bond distances ranging from 2.43–2.86 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to eight Rh and one Ni atom. In the second As site, As is bonded in a 9-coordinate geometry to five Rh and four equivalent Ni atoms.