Cr5NiAs3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one As(2), and four equivalent As(1) atoms. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to two equivalent As(1) and two equivalent As(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), two equivalent Cr(3), four equivalent Cr(2), and one Ni(1) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Cr(2), four equivalent Cr(3), and two equivalent Ni(1) atoms.
Cr5NiAs3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to two equivalent Ni(1), one As(2), and four equivalent As(1) atoms. Both Cr(1)-Ni(1) bond lengths are 2.83 Å. The Cr(1)-As(2) bond length is 2.61 Å. All Cr(1)-As(1) bond lengths are 2.67 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. The Cr(2)-As(2) bond length is 2.58 Å. All Cr(2)-As(1) bond lengths are 2.64 Å. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to two equivalent As(1) and two equivalent As(2) atoms. There is one shorter (2.43 Å) and one longer (2.47 Å) Cr(3)-As(1) bond length. Both Cr(3)-As(2) bond lengths are 2.45 Å. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1), two equivalent As(1), and two equivalent As(2) atoms. Both Ni(1)-As(1) bond lengths are 2.38 Å. Both Ni(1)-As(2) bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), two equivalent Cr(3), four equivalent Cr(2), and one Ni(1) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Cr(1), two equivalent Cr(2), four equivalent Cr(3), and two equivalent Ni(1) atoms.