Sr3CuN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the third Sr site, Sr(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Sr(2), one Sr(3), three equivalent Sr(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the second N site, N(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), three equivalent Sr(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°.
Sr3CuN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. The Sr(1)-N(2) bond length is 2.57 Å. The Sr(1)-N(3) bond length is 2.72 Å. There is one shorter (2.69 Å) and two longer (2.71 Å) Sr(1)-N(1) bond lengths. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. The Sr(2)-N(1) bond length is 2.73 Å. The Sr(2)-N(3) bond length is 2.56 Å. There is one shorter (2.69 Å) and two longer (2.71 Å) Sr(2)-N(2) bond lengths. In the third Sr site, Sr(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. The Sr(3)-N(1) bond length is 2.56 Å. The Sr(3)-N(2) bond length is 2.72 Å. There is one shorter (2.69 Å) and two longer (2.71 Å) Sr(3)-N(3) bond lengths. Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. The Cu(1)-N(1) bond length is 1.89 Å. The Cu(1)-N(2) bond length is 1.89 Å. The Cu(1)-N(3) bond length is 1.89 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Sr(2), one Sr(3), three equivalent Sr(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the second N site, N(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), three equivalent Sr(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°.