Sr3Fe3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. In the second Fe site, Fe(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. In the third Fe site, Fe(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing FeN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Fe(1), one Fe(2), and one Fe(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Sr(3), three equivalent Sr(1), one Fe(2), and one Fe(3) atom. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Fe(1) atoms to form edge-sharing NSr4Fe2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Fe(3), and two equivalent Fe(2) atoms. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Sr(1), two equivalent Sr(2), one Fe(1), and one Fe(3) atom.
Sr3Fe3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and three equivalent N(2) atoms. The Sr(1)-N(1) bond length is 3.04 Å. The Sr(1)-N(3) bond length is 2.57 Å. The Sr(1)-N(4) bond length is 2.66 Å. The Sr(1)-N(5) bond length is 3.01 Å. There are a spread of Sr(1)-N(2) bond distances ranging from 2.49-3.27 Å. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(1), one N(3), one N(4), and two equivalent N(5) atoms. The Sr(2)-N(1) bond length is 2.70 Å. The Sr(2)-N(3) bond length is 2.58 Å. The Sr(2)-N(4) bond length is 2.74 Å. There is one shorter (2.70 Å) and one longer (2.72 Å) Sr(2)-N(5) bond length. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. The Sr(3)-N(1) bond length is 2.61 Å. The Sr(3)-N(2) bond length is 2.54 Å. The Sr(3)-N(4) bond length is 2.71 Å. There is one shorter (2.46 Å) and one longer (2.66 Å) Sr(3)-N(3) bond length. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. The Fe(1)-N(1) bond length is 1.92 Å. The Fe(1)-N(5) bond length is 1.87 Å. There is one shorter (1.91 Å) and one longer (1.95 Å) Fe(1)-N(3) bond length. In the second Fe site, Fe(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. The Fe(2)-N(1) bond length is 1.89 Å. The Fe(2)-N(2) bond length is 1.88 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Fe(2)-N(4) bond length. In the third Fe site, Fe(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing FeN4 tetrahedra. The Fe(3)-N(1) bond length is 2.01 Å. The Fe(3)-N(2) bond length is 1.98 Å. The Fe(3)-N(4) bond length is 2.03 Å. The Fe(3)-N(5) bond length is 1.86 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Fe(1), one Fe(2), and one Fe(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Sr(3), three equivalent Sr(1), one Fe(2), and one Fe(3) atom. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Fe(1) atoms to form edge-sharing NSr4Fe2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Fe(3), and two equivalent Fe(2) atoms. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Sr(1), two equivalent Sr(2), one Fe(1), and one Fe(3) atom.