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Materials Data on NiAsRh by Materials Project

RhNiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Rh is bonded in a 1-coordinate geometry to four equivalent Ni and five equivalent As atoms. All Rh–Ni bond lengths are 2.88 Å. There are one shorter (2.40 Å) and four longer (2.65 Å) Rh–As bond lengths. Ni is bonded to four equivalent Rh, four equivalent Ni, and four equivalent As atoms to form a mixture of distorted corner and face-sharing NiNi4As4Rh4 cuboctahedra. All Ni–Ni bond lengths are 2.56 Å. All Ni–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to five equivalent Rh and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on NiAs2Rh3 by Materials Project

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.

36 MATERIALS SCIENCE↗