Cr3CAs crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to two equivalent C(1) and three equivalent As(1) atoms. In the second Cr site, Cr(2) is bonded in a distorted bent 150 degrees geometry to two equivalent C(1) and two equivalent As(1) atoms. C(1) is bonded to two equivalent Cr(2) and four equivalent Cr(1) atoms to form a mixture of edge and corner-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 24°. As(1) is bonded in a 8-coordinate geometry to two equivalent Cr(2) and six equivalent Cr(1) atoms.
Cr3CAs crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to two equivalent C(1) and three equivalent As(1) atoms. Both Cr(1)-C(1) bond lengths are 1.99 Å. All Cr(1)-As(1) bond lengths are 2.54 Å. In the second Cr site, Cr(2) is bonded in a distorted bent 150 degrees geometry to two equivalent C(1) and two equivalent As(1) atoms. Both Cr(2)-C(1) bond lengths are 1.91 Å. Both Cr(2)-As(1) bond lengths are 2.52 Å. C(1) is bonded to two equivalent Cr(2) and four equivalent Cr(1) atoms to form a mixture of edge and corner-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 24°. As(1) is bonded in a 8-coordinate geometry to two equivalent Cr(2) and six equivalent Cr(1) atoms.