Mn4IrN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. In the second Mn site, Mn(2) is bonded in a distorted see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Mn site, Mn(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(4) atoms. Ir(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Mn(4), two equivalent Mn(3), and one Ir(1) atom to form distorted NMn4Ir trigonal bipyramids that share corners with four equivalent N(3)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(1)Mn4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Mn(1), two equivalent Mn(2), and one Ir(1) atom to form NMn3Ir trigonal pyramids that share corners with two equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(3)Mn5 trigonal bipyramids, and  an edgeedge with one N(2)Mn3Ir trigonal pyramid. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form NMn5 trigonal bipyramids that share corners with four equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(3)Mn5 trigonal bipyramid. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), and one Ir(1) atom.
Mn4IrN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Mn(1)-N(1) bond length is 1.97 Å. The Mn(1)-N(2) bond length is 1.90 Å. The Mn(1)-N(3) bond length is 1.92 Å. The Mn(1)-N(4) bond length is 1.98 Å. In the second Mn site, Mn(2) is bonded in a distorted see-saw-like geometry to two equivalent N(2) and two equivalent N(3) atoms. There is one shorter (1.90 Å) and one longer (1.97 Å) Mn(2)-N(2) bond length. There is one shorter (1.94 Å) and one longer (2.00 Å) Mn(2)-N(3) bond length. In the third Mn site, Mn(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. The Mn(3)-N(3) bond length is 1.94 Å. The Mn(3)-N(4) bond length is 1.93 Å. There is one shorter (1.87 Å) and one longer (1.97 Å) Mn(3)-N(1) bond length. In the fourth Mn site, Mn(4) is bonded in a distorted see-saw-like geometry to one N(1), one N(3), and two equivalent N(4) atoms. The Mn(4)-N(1) bond length is 1.98 Å. The Mn(4)-N(3) bond length is 1.94 Å. There is one shorter (1.89 Å) and one longer (1.95 Å) Mn(4)-N(4) bond length. Ir(1) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(4) atom. The Ir(1)-N(1) bond length is 2.10 Å. The Ir(1)-N(2) bond length is 1.97 Å. The Ir(1)-N(4) bond length is 2.06 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(1), one Mn(4), two equivalent Mn(3), and one Ir(1) atom to form distorted NMn4Ir trigonal bipyramids that share corners with four equivalent N(3)Mn5 trigonal bipyramids, corners with two equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(1)Mn4Ir trigonal bipyramid. In the second N site, N(2) is bonded to one Mn(1), two equivalent Mn(2), and one Ir(1) atom to form NMn3Ir trigonal pyramids that share corners with two equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(3)Mn5 trigonal bipyramids, and  an edgeedge with one N(2)Mn3Ir trigonal pyramid. In the third N site, N(3) is bonded to one Mn(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms to form NMn5 trigonal bipyramids that share corners with four equivalent N(1)Mn4Ir trigonal bipyramids, corners with five equivalent N(2)Mn3Ir trigonal pyramids, and  an edgeedge with one N(3)Mn5 trigonal bipyramid. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), two equivalent Mn(4), and one Ir(1) atom.