YAlN2 crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing AlN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms.
YAlN2 crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent N(1) and three equivalent N(2) atoms. There are a spread of Y(1)-N(1) bond distances ranging from 2.30-2.73 Å. There are a spread of Y(1)-N(2) bond distances ranging from 2.30-2.87 Å. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing AlN4 tetrahedra. There is one shorter (1.90 Å) and one longer (1.95 Å) Al(1)-N(1) bond length. There is one shorter (1.88 Å) and one longer (1.89 Å) Al(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms. In the second N site, N(2) is bonded in a 5-coordinate geometry to three equivalent Y(1) and two equivalent Al(1) atoms.