CrNi2N3 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Ni(1)N4 tetrahedra. Ni(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted NiN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Ni(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1) and two equivalent Ni(1) atoms. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Ni(1) atoms to form corner-sharing NCrNi3 tetrahedra.
CrNi2N3 is Theoretical Carbon Structure-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Cr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CrN4 tetrahedra that share corners with two equivalent Cr(1)N4 tetrahedra and corners with ten equivalent Ni(1)N4 tetrahedra. Both Cr(1)-N(1) bond lengths are 1.78 Å. There is one shorter (1.84 Å) and one longer (1.86 Å) Cr(1)-N(2) bond length. Ni(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted NiN4 tetrahedra that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Ni(1)N4 tetrahedra. The Ni(1)-N(2) bond length is 1.91 Å. There are two shorter (1.91 Å) and one longer (1.92 Å) Ni(1)-N(1) bond length. There are two inequivalent N sites. In the first N site, N(2) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1) and two equivalent Ni(1) atoms. In the second N site, N(1) is bonded to one Cr(1) and three equivalent Ni(1) atoms to form corner-sharing NCrNi3 tetrahedra.