Sr5(OsN3)2 is Krennerite-derived structured and 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 to one N(3), two equivalent N(1), and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. 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. Os(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and two equivalent N(3) atoms. 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 Os(1) atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedral tilt angles range from 16-76°. 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 Os(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 Os(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5Os octahedra. The corner-sharing octahedral tilt angles range from 16-76°.
Sr5(OsN3)2 is Krennerite-derived structured and 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 (2.70 Å) and one longer (2.73 Å) Sr(1)-N(1) bond length. There is one shorter (2.75 Å) and one longer (2.90 Å) Sr(1)-N(2) bond length. There is one shorter (2.75 Å) and one longer (3.09 Å) Sr(1)-N(3) bond length. In the second Sr site, Sr(2) is bonded to one N(3), two equivalent N(1), and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. The Sr(2)-N(3) bond length is 2.55 Å. There is one shorter (2.54 Å) and one longer (2.78 Å) Sr(2)-N(1) bond length. There is one shorter (2.65 Å) and one longer (2.67 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 2.90 Å. Both Sr(3)-N(2) bond lengths are 2.59 Å. Both Sr(3)-N(3) bond lengths are 2.81 Å. Os(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(2), and two equivalent N(3) atoms. The Os(1)-N(1) bond length is 1.88 Å. The Os(1)-N(2) bond length is 1.90 Å. There is one shorter (1.87 Å) and one longer (2.69 Å) Os(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 Os(1) atom to form a mixture of distorted edge and corner-sharing NSr5Os octahedra. The corner-sharing octahedral tilt angles range from 16-76°. 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 Os(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 Os(1) atom to form a mixture of distorted edge, corner, and face-sharing NSr5Os octahedra. The corner-sharing octahedral tilt angles range from 16-76°.