Ba3Y2N4 is Bixbyite (Mn,Fe)2O4-like structured and crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. In the second Y site, Y(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(1), and one Y(2) atom. In the second N site, N(2) is bonded to two equivalent Ba(1), one Y(1), and one Y(2) atom to form distorted corner-sharing NBa2Y2 tetrahedra.
Ba3Y2N4 is Bixbyite (Mn,Fe)2O4-like structured and crystallizes in the orthorhombic Pnna space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (3.12 Å) and one longer (3.16 Å) Ba(1)-N(1) bond length. Both Ba(1)-N(2) bond lengths are 2.64 Å. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two shorter (2.80 Å) and two longer (3.07 Å) Ba(2)-N(1) bond lengths. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. Both Y(1)-N(1) bond lengths are 2.30 Å. Both Y(1)-N(2) bond lengths are 2.29 Å. In the second Y site, Y(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted edge-sharing YN4 tetrahedra. Both Y(2)-N(1) bond lengths are 2.35 Å. Both Y(2)-N(2) bond lengths are 2.26 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(1), and one Y(2) atom. In the second N site, N(2) is bonded to two equivalent Ba(1), one Y(1), and one Y(2) atom to form distorted corner-sharing NBa2Y2 tetrahedra.