GdBO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form GdO8 hexagonal bipyramids that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with six equivalent Gd(2)O8 hexagonal bipyramids, edges with two equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. In the second Gd site, Gd(2) is bonded to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted GdO8 hexagonal bipyramids that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, edges with three equivalent Gd(1)O8 hexagonal bipyramids, edges with three equivalent Gd(2)O8 hexagonal bipyramids,  an edgeedge with one B(2)O4 tetrahedra, and edges with three 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), one O(4), and one O(5) atom to form BO4 tetrahedra that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra,  an edgeedge with one Gd(1)O8 hexagonal bipyramid, and edges with three equivalent Gd(2)O8 hexagonal bipyramids. In the second B site, B(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Gd(1)O8 hexagonal bipyramids, and edges with two equivalent Gd(2)O8 hexagonal bipyramids. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(2) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one B(1), and one B(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Gd(2) and two equivalent B(1) atoms. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom.
GdBO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form GdO8 hexagonal bipyramids that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with six equivalent Gd(2)O8 hexagonal bipyramids, edges with two equivalent B(1)O4 tetrahedra, and edges with two equivalent B(2)O4 tetrahedra. Both Gd(1)-O(1) bond lengths are 2.31 Å. Both Gd(1)-O(2) bond lengths are 2.48 Å. Both Gd(1)-O(3) bond lengths are 2.46 Å. Both Gd(1)-O(4) bond lengths are 2.39 Å. In the second Gd site, Gd(2) is bonded to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted GdO8 hexagonal bipyramids that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra, edges with three equivalent Gd(1)O8 hexagonal bipyramids, edges with three equivalent Gd(2)O8 hexagonal bipyramids,  an edgeedge with one B(2)O4 tetrahedra, and edges with three equivalent B(1)O4 tetrahedra. The Gd(2)-O(4) bond length is 2.37 Å. The Gd(2)-O(5) bond length is 2.38 Å. Both Gd(2)-O(1) bond lengths are 2.50 Å. There is one shorter (2.29 Å) and one longer (2.47 Å) Gd(2)-O(2) bond length. There is one shorter (2.29 Å) and one longer (2.47 Å) Gd(2)-O(3) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form BO4 tetrahedra that share  a cornercorner with one Gd(1)O8 hexagonal bipyramid,  a cornercorner with one Gd(2)O8 hexagonal bipyramid,  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one B(2)O4 tetrahedra,  an edgeedge with one Gd(1)O8 hexagonal bipyramid, and edges with three equivalent Gd(2)O8 hexagonal bipyramids. The B(1)-O(1) bond length is 1.45 Å. The B(1)-O(2) bond length is 1.45 Å. The B(1)-O(4) bond length is 1.51 Å. The B(1)-O(5) bond length is 1.51 Å. In the second B site, B(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form BO4 tetrahedra that share corners with two equivalent Gd(2)O8 hexagonal bipyramids, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Gd(1)O8 hexagonal bipyramids, and edges with two equivalent Gd(2)O8 hexagonal bipyramids. Both B(2)-O(3) bond lengths are 1.45 Å. Both B(2)-O(4) bond lengths are 1.51 Å. There are five inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(2) atom. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one B(1), and one B(2) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Gd(2) and two equivalent B(1) atoms. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), two equivalent Gd(2), and one B(1) atom.