Sr8Fe3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(3), one N(4), and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the third Sr site, Sr(3) is bonded to one N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(1), one N(2), and three equivalent N(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one N(4) atom. In the second Fe site, Fe(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(3), one Sr(4), three equivalent Sr(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 19-65°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third N site, N(3) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 17-47°. In the fourth N site, N(4) is bonded to one Sr(1), one Sr(2), three equivalent Sr(4), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 16-47°.
Sr8Fe3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 square pyramids. The Sr(1)-N(4) bond length is 2.71 Å. Both Sr(1)-N(2) bond lengths are 2.67 Å. There is one shorter (2.64 Å) and one longer (2.84 Å) Sr(1)-N(3) bond length. In the second Sr site, Sr(2) is bonded to one N(3), one N(4), and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. The Sr(2)-N(3) bond length is 2.62 Å. The Sr(2)-N(4) bond length is 2.73 Å. There is one shorter (2.68 Å) and two longer (2.70 Å) Sr(2)-N(1) bond lengths. In the third Sr site, Sr(3) is bonded to one N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. The Sr(3)-N(1) bond length is 2.87 Å. There is one shorter (2.50 Å) and one longer (2.96 Å) Sr(3)-N(2) bond length. Both Sr(3)-N(3) bond lengths are 2.69 Å. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(1), one N(2), and three equivalent N(4) atoms. The Sr(4)-N(1) bond length is 2.61 Å. The Sr(4)-N(2) bond length is 2.63 Å. There are two shorter (2.70 Å) and one longer (2.79 Å) Sr(4)-N(4) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one N(4) atom. The Fe(1)-N(1) bond length is 1.75 Å. The Fe(1)-N(3) bond length is 1.76 Å. The Fe(1)-N(4) bond length is 1.73 Å. In the second Fe site, Fe(2) is bonded in a linear geometry to two equivalent N(2) atoms. Both Fe(2)-N(2) bond lengths are 1.84 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(3), one Sr(4), three equivalent Sr(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 19-65°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third N site, N(3) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 17-47°. In the fourth N site, N(4) is bonded to one Sr(1), one Sr(2), three equivalent Sr(4), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 16-47°.