Sr2MoN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. Mo(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing MoN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted octahedral geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Mo(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Mo(1) atom.
Sr2MoN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. The Sr(1)-N(1) bond length is 3.05 Å. The Sr(1)-N(4) bond length is 2.97 Å. There is one shorter (2.58 Å) and one longer (2.68 Å) Sr(1)-N(3) bond length. There are a spread of Sr(1)-N(2) bond distances ranging from 2.71-3.26 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. The Sr(2)-N(1) bond length is 2.71 Å. The Sr(2)-N(4) bond length is 2.73 Å. There is one shorter (2.63 Å) and one longer (2.74 Å) Sr(2)-N(2) bond length. There is one shorter (2.69 Å) and one longer (2.78 Å) Sr(2)-N(3) bond length. Mo(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing MoN4 tetrahedra. The Mo(1)-N(1) bond length is 2.00 Å. The Mo(1)-N(2) bond length is 1.88 Å. The Mo(1)-N(3) bond length is 1.87 Å. The Mo(1)-N(4) bond length is 1.96 Å. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted octahedral geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Mo(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Mo(1) atom.