Sr5(VN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. V(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing VN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge and corner-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent V(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°.
Sr5(VN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. There is one shorter (2.67 Å) and one longer (2.80 Å) Sr(1)-N(1) bond length. There is one shorter (2.76 Å) and one longer (2.96 Å) Sr(1)-N(2) bond length. There is one shorter (2.85 Å) and one longer (3.03 Å) Sr(1)-N(3) bond length. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. The Sr(2)-N(3) bond length is 2.61 Å. There is one shorter (2.52 Å) and one longer (2.68 Å) Sr(2)-N(1) bond length. There is one shorter (2.61 Å) and one longer (2.64 Å) Sr(2)-N(2) bond length. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Sr(3)-N(1) bond lengths are 2.74 Å. Both Sr(3)-N(2) bond lengths are 2.60 Å. Both Sr(3)-N(3) bond lengths are 3.13 Å. V(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing VN4 tetrahedra. The V(1)-N(1) bond length is 1.81 Å. The V(1)-N(2) bond length is 1.84 Å. There is one shorter (1.93 Å) and one longer (1.97 Å) V(1)-N(3) bond length. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge and corner-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent V(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one V(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5V octahedra. The corner-sharing octahedral tilt angles range from 16-77°.