YMoN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(3) and four equivalent N(1) atoms to form YN6 octahedra that share corners with six equivalent Mo(1)N4 tetrahedra and edges with two equivalent Y(1)N6 octahedra. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Mo(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form MoN4 tetrahedra that share corners with three equivalent Y(1)N6 octahedra and corners with two equivalent Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-67°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Y(2), two equivalent Y(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NY3Mo tetrahedra. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Y(2) and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in a distorted T-shaped geometry to one Y(1), one Y(2), and one Mo(1) atom.
YMoN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(3) and four equivalent N(1) atoms to form YN6 octahedra that share corners with six equivalent Mo(1)N4 tetrahedra and edges with two equivalent Y(1)N6 octahedra. Both Y(1)-N(3) bond lengths are 2.29 Å. There are two shorter (2.37 Å) and two longer (2.42 Å) Y(1)-N(1) bond lengths. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Y(2)-N(1) bond lengths are 2.35 Å. Both Y(2)-N(2) bond lengths are 2.49 Å. Both Y(2)-N(3) bond lengths are 2.47 Å. Mo(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form MoN4 tetrahedra that share corners with three equivalent Y(1)N6 octahedra and corners with two equivalent Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-67°. The Mo(1)-N(1) bond length is 1.84 Å. The Mo(1)-N(3) bond length is 1.76 Å. There is one shorter (1.88 Å) and one longer (1.94 Å) Mo(1)-N(2) bond length. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Y(2), two equivalent Y(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NY3Mo tetrahedra. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Y(2) and two equivalent Mo(1) atoms. In the third N site, N(3) is bonded in a distorted T-shaped geometry to one Y(1), one Y(2), and one Mo(1) atom.