Sr4IrN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. In the third Sr site, Sr(3) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(2), one N(3), one N(4), and two equivalent N(1) atoms. Ir(1) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Ir(1) atom to form a mixture of edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 14-71°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Ir(1) atom to form a mixture of edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 16-69°. In the third N site, N(3) is bonded to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one Ir(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 14-69°. In the fourth N site, N(4) is bonded to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one Ir(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 16-71°.
Sr4IrN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(2) atoms. The Sr(1)-N(1) bond length is 2.58 Å. The Sr(1)-N(3) bond length is 2.56 Å. The Sr(1)-N(4) bond length is 2.63 Å. There is one shorter (2.72 Å) and one longer (2.79 Å) Sr(1)-N(2) bond length. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There is one shorter (2.55 Å) and one longer (2.62 Å) Sr(2)-N(2) bond length. There is one shorter (2.86 Å) and one longer (2.92 Å) Sr(2)-N(3) bond length. There is one shorter (2.69 Å) and one longer (2.73 Å) Sr(2)-N(4) bond length. In the third Sr site, Sr(3) is bonded in a rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. The Sr(3)-N(3) bond length is 2.52 Å. The Sr(3)-N(4) bond length is 2.79 Å. Both Sr(3)-N(1) bond lengths are 2.55 Å. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(2), one N(3), one N(4), and two equivalent N(1) atoms. The Sr(4)-N(2) bond length is 2.60 Å. The Sr(4)-N(3) bond length is 2.70 Å. The Sr(4)-N(4) bond length is 2.87 Å. There is one shorter (2.67 Å) and one longer (2.71 Å) Sr(4)-N(1) bond length. Ir(1) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ir(1)-N(1) bond length is 2.13 Å. The Ir(1)-N(2) bond length is 2.04 Å. The Ir(1)-N(3) bond length is 1.93 Å. The Ir(1)-N(4) bond length is 1.96 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Ir(1) atom to form a mixture of edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 14-71°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Ir(1) atom to form a mixture of edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 16-69°. In the third N site, N(3) is bonded to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one Ir(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 14-69°. In the fourth N site, N(4) is bonded to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one Ir(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5Ir octahedra. The corner-sharing octahedral tilt angles range from 16-71°.