CrMn2N3 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 Mn(1)N4 trigonal pyramids. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted MnN4 trigonal pyramids that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Mn(1)N4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cr(1) and three equivalent Mn(1) atoms to form NMn3Cr trigonal pyramids that share corners with five equivalent N(2)Mn2Cr2 tetrahedra and corners with seven equivalent N(1)Mn3Cr trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Cr(1) and two equivalent Mn(1) atoms to form NMn2Cr2 tetrahedra that share corners with two equivalent N(2)Mn2Cr2 tetrahedra and corners with ten equivalent N(1)Mn3Cr trigonal pyramids.
CrMn2N3 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 Mn(1)N4 trigonal pyramids. Both Cr(1)-N(1) bond lengths are 1.89 Å. There is one shorter (1.86 Å) and one longer (1.87 Å) Cr(1)-N(2) bond length. Mn(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted MnN4 trigonal pyramids that share corners with five equivalent Cr(1)N4 tetrahedra and corners with seven equivalent Mn(1)N4 trigonal pyramids. The Mn(1)-N(2) bond length is 1.90 Å. There are a spread of Mn(1)-N(1) bond distances ranging from 1.86-1.91 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cr(1) and three equivalent Mn(1) atoms to form NMn3Cr trigonal pyramids that share corners with five equivalent N(2)Mn2Cr2 tetrahedra and corners with seven equivalent N(1)Mn3Cr trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Cr(1) and two equivalent Mn(1) atoms to form NMn2Cr2 tetrahedra that share corners with two equivalent N(2)Mn2Cr2 tetrahedra and corners with ten equivalent N(1)Mn3Cr trigonal pyramids.