Y2GaN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Y site, Y(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. Ga(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded in an octahedral geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the third N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom.
Y2GaN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) 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 Y(1)-N(1) bond length is 2.53 Å. The Y(1)-N(4) bond length is 2.57 Å. There is one shorter (2.36 Å) and one longer (2.71 Å) Y(1)-N(2) bond length. There is one shorter (2.29 Å) and one longer (2.44 Å) Y(1)-N(3) bond length. In the second Y site, Y(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 Y(2)-N(1) bond length is 2.64 Å. The Y(2)-N(4) bond length is 2.70 Å. There is one shorter (2.30 Å) and one longer (2.44 Å) Y(2)-N(2) bond length. There is one shorter (2.46 Å) and one longer (2.47 Å) Y(2)-N(3) bond length. Ga(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing GaN4 tetrahedra. The Ga(1)-N(1) bond length is 1.96 Å. The Ga(1)-N(2) bond length is 1.97 Å. The Ga(1)-N(3) bond length is 1.95 Å. The Ga(1)-N(4) bond length is 1.91 Å. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the second N site, N(1) is bonded in an octahedral geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Ga(1) atoms. In the third N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Ga(1) atom.