YBO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. In the second Y site, Y(2) is bonded to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms to form YO8 hexagonal bipyramids that share corners with two equivalent Y(2)O8 hexagonal bipyramids, corners with two equivalent B(2)O4 tetrahedra, and edges with four equivalent B(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, and edges with two equivalent Y(2)O8 hexagonal bipyramids. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Y(2)O8 hexagonal bipyramids and corners with two equivalent B(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one B(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one B(1), and one B(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(2) and two equivalent B(1) atoms. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one B(1) atom.
YBO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Both Y(1)-O(1) bond lengths are 2.35 Å. Both Y(1)-O(4) bond lengths are 2.46 Å. There are two shorter (2.25 Å) and two longer (2.43 Å) Y(1)-O(3) bond lengths. In the second Y site, Y(2) is bonded to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms to form YO8 hexagonal bipyramids that share corners with two equivalent Y(2)O8 hexagonal bipyramids, corners with two equivalent B(2)O4 tetrahedra, and edges with four equivalent B(1)O4 tetrahedra. Both Y(2)-O(2) bond lengths are 2.34 Å. Both Y(2)-O(4) bond lengths are 2.26 Å. All Y(2)-O(3) bond lengths are 2.44 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, and edges with two equivalent Y(2)O8 hexagonal bipyramids. The B(1)-O(1) bond length is 1.51 Å. The B(1)-O(2) bond length is 1.50 Å. Both B(1)-O(3) bond lengths are 1.44 Å. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Y(2)O8 hexagonal bipyramids and corners with two equivalent B(1)O4 tetrahedra. Both B(2)-O(1) bond lengths are 1.51 Å. Both B(2)-O(4) bond lengths are 1.45 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one B(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one B(1), and one B(2) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(2) and two equivalent B(1) atoms. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one B(1) atom.