CrNi3Sb4 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded to two equivalent Ni(2) and six equivalent Sb(1) atoms to form distorted edge-sharing CrNi2Sb6 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Sb(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), one Ni(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Ni(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ni(2) atoms.
CrNi3Sb4 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded to two equivalent Ni(2) and six equivalent Sb(1) atoms to form distorted edge-sharing CrNi2Sb6 hexagonal bipyramids. Both Cr(1)-Ni(2) bond lengths are 2.66 Å. All Cr(1)-Sb(1) bond lengths are 2.75 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Sb(2) atoms. Both Ni(1)-Ni(2) bond lengths are 2.61 Å. All Ni(1)-Sb(2) bond lengths are 2.64 Å. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), one Ni(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. All Ni(2)-Sb(1) bond lengths are 2.59 Å. All Ni(2)-Sb(2) bond lengths are 2.67 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Ni(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ni(2) atoms.