Cr3N2 is Corundum-like structured and crystallizes in the cubic I2_13 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form a mixture of corner and edge-sharing CrN4 trigonal pyramids. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing CrN4 trigonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Cr(1) and three equivalent Cr(2) atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second N site, N(2) is bonded to two equivalent Cr(2) and four equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third N site, N(3) is bonded to two equivalent Cr(1) and four equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°.
Cr3N2 is Corundum-like structured and crystallizes in the cubic I2_13 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form a mixture of corner and edge-sharing CrN4 trigonal pyramids. The Cr(1)-N(1) bond length is 1.97 Å. The Cr(1)-N(3) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (1.99 Å) Cr(1)-N(2) bond length. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing CrN4 trigonal pyramids. The Cr(2)-N(1) bond length is 1.96 Å. The Cr(2)-N(2) bond length is 2.01 Å. There is one shorter (1.95 Å) and one longer (2.01 Å) Cr(2)-N(3) bond length. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Cr(1) and three equivalent Cr(2) atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the second N site, N(2) is bonded to two equivalent Cr(2) and four equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third N site, N(3) is bonded to two equivalent Cr(1) and four equivalent Cr(2) atoms to form a mixture of distorted corner and edge-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°.