Cr3As is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent Cr(1), four equivalent Cr(2), and four equivalent As(1) atoms to form distorted CrCr8As4 cuboctahedra that share corners with twelve equivalent Cr(1)Cr8As4 cuboctahedra, edges with eight equivalent Cr(1)Cr8As4 cuboctahedra, edges with eight equivalent As(1)Cr12 cuboctahedra, faces with four equivalent As(1)Cr12 cuboctahedra, and faces with ten equivalent Cr(1)Cr8As4 cuboctahedra. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to eight equivalent Cr(1) and four equivalent As(1) atoms. As(1) is bonded to four equivalent Cr(2) and eight equivalent Cr(1) atoms to form AsCr12 cuboctahedra that share corners with four equivalent As(1)Cr12 cuboctahedra, edges with eight equivalent As(1)Cr12 cuboctahedra, edges with sixteen equivalent Cr(1)Cr8As4 cuboctahedra, faces with four equivalent As(1)Cr12 cuboctahedra, and faces with eight equivalent Cr(1)Cr8As4 cuboctahedra.
Cr3As is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to four equivalent Cr(1), four equivalent Cr(2), and four equivalent As(1) atoms to form distorted CrCr8As4 cuboctahedra that share corners with twelve equivalent Cr(1)Cr8As4 cuboctahedra, edges with eight equivalent Cr(1)Cr8As4 cuboctahedra, edges with eight equivalent As(1)Cr12 cuboctahedra, faces with four equivalent As(1)Cr12 cuboctahedra, and faces with ten equivalent Cr(1)Cr8As4 cuboctahedra. All Cr(1)-Cr(1) bond lengths are 2.45 Å. All Cr(1)-Cr(2) bond lengths are 2.68 Å. All Cr(1)-As(1) bond lengths are 2.68 Å. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to eight equivalent Cr(1) and four equivalent As(1) atoms. All Cr(2)-As(1) bond lengths are 2.45 Å. As(1) is bonded to four equivalent Cr(2) and eight equivalent Cr(1) atoms to form AsCr12 cuboctahedra that share corners with four equivalent As(1)Cr12 cuboctahedra, edges with eight equivalent As(1)Cr12 cuboctahedra, edges with sixteen equivalent Cr(1)Cr8As4 cuboctahedra, faces with four equivalent As(1)Cr12 cuboctahedra, and faces with eight equivalent Cr(1)Cr8As4 cuboctahedra.