Ba3OsN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. In the third Ba site, Ba(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. Os(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 Ba(2), one Ba(3), three equivalent Ba(1), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NBa5Os octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the second N site, N(2) is bonded to one Ba(1), one Ba(3), three equivalent Ba(2), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NBa5Os octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the third N site, N(3) is bonded to one Ba(1), one Ba(2), three equivalent Ba(3), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NBa5Os octahedra. The corner-sharing octahedral tilt angles range from 21-42°.
Ba3OsN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. The Ba(1)-N(2) bond length is 2.97 Å. The Ba(1)-N(3) bond length is 2.95 Å. There are two shorter (2.88 Å) and one longer (3.01 Å) Ba(1)-N(1) bond length. In the second Ba site, Ba(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. The Ba(2)-N(1) bond length is 2.96 Å. The Ba(2)-N(3) bond length is 2.97 Å. There are two shorter (2.88 Å) and one longer (3.01 Å) Ba(2)-N(2) bond length. In the third Ba site, Ba(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. The Ba(3)-N(1) bond length is 2.97 Å. The Ba(3)-N(2) bond length is 2.95 Å. There are two shorter (2.88 Å) and one longer (3.01 Å) Ba(3)-N(3) bond length. Os(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. The Os(1)-N(1) bond length is 1.85 Å. The Os(1)-N(2) bond length is 1.85 Å. The Os(1)-N(3) bond length is 1.85 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ba(2), one Ba(3), three equivalent Ba(1), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NBa5Os octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the second N site, N(2) is bonded to one Ba(1), one Ba(3), three equivalent Ba(2), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NBa5Os octahedra. The corner-sharing octahedral tilt angles range from 21-42°. In the third N site, N(3) is bonded to one Ba(1), one Ba(2), three equivalent Ba(3), and one Os(1) atom to form a mixture of distorted edge and corner-sharing NBa5Os octahedra. The corner-sharing octahedral tilt angles range from 21-42°.