Mn5CuN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent N(2) atoms. In the second Mn site, Mn(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Cu(1) is bonded in a distorted L-shaped geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mn(2), two equivalent Mn(1), and one Cu(1) atom to form distorted corner-sharing NMn3Cu tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(2) and four equivalent Mn(1) atoms.
Mn5CuN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent N(2) atoms. The Mn(1)-N(1) bond length is 1.83 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Mn(1)-N(2) bond length. In the second Mn site, Mn(2) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Mn(2)-N(1) bond lengths are 1.86 Å. Both Mn(2)-N(2) bond lengths are 1.93 Å. Cu(1) is bonded in a distorted L-shaped geometry to two equivalent N(1) atoms. Both Cu(1)-N(1) bond lengths are 2.02 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mn(2), two equivalent Mn(1), and one Cu(1) atom to form distorted corner-sharing NMn3Cu tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Mn(2) and four equivalent Mn(1) atoms.