Nd3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted NdO7 hexagonal pyramids that share corners with two equivalent Nd(2)O7 pentagonal bipyramids,  a cornercorner with one Ga(1)O4 tetrahedra, edges with two equivalent Nd(1)O7 hexagonal pyramids, edges with six equivalent Nd(2)O7 pentagonal bipyramids, and  an edgeedge with one Ga(1)O4 tetrahedra. In the second Nd site, Nd(2) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with four equivalent Nd(2)O7 pentagonal bipyramids, corners with three equivalent Ga(1)O4 tetrahedra, edges with three equivalent Nd(1)O7 hexagonal pyramids, edges with two equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Ga(1)O4 tetrahedra, and  a faceface with one Nd(2)O7 pentagonal bipyramid. Ga(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form GaO4 tetrahedra that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with six equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Nd(1)O7 hexagonal pyramid, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ga(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(2) and one Ga(1) atom. In the third O site, O(3) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with six equivalent O(4)Nd3Ga trigonal pyramids, edges with three equivalent O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid. In the fourth O site, O(4) is bonded to one Nd(1), two equivalent Nd(2), and one Ga(1) atom to form distorted ONd3Ga trigonal pyramids that share corners with six equivalent O(3)Nd4 tetrahedra, corners with two equivalent O(4)Nd3Ga trigonal pyramids,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid.
Nd3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted NdO7 hexagonal pyramids that share corners with two equivalent Nd(2)O7 pentagonal bipyramids,  a cornercorner with one Ga(1)O4 tetrahedra, edges with two equivalent Nd(1)O7 hexagonal pyramids, edges with six equivalent Nd(2)O7 pentagonal bipyramids, and  an edgeedge with one Ga(1)O4 tetrahedra. The Nd(1)-O(1) bond length is 2.52 Å. Both Nd(1)-O(4) bond lengths are 2.55 Å. All Nd(1)-O(3) bond lengths are 2.37 Å. In the second Nd site, Nd(2) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 pentagonal bipyramids that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with four equivalent Nd(2)O7 pentagonal bipyramids, corners with three equivalent Ga(1)O4 tetrahedra, edges with three equivalent Nd(1)O7 hexagonal pyramids, edges with two equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Ga(1)O4 tetrahedra, and  a faceface with one Nd(2)O7 pentagonal bipyramid. The Nd(2)-O(1) bond length is 2.47 Å. There is one shorter (2.63 Å) and one longer (2.69 Å) Nd(2)-O(2) bond length. There is one shorter (2.30 Å) and one longer (2.33 Å) Nd(2)-O(3) bond length. There is one shorter (2.37 Å) and one longer (2.47 Å) Nd(2)-O(4) bond length. Ga(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form GaO4 tetrahedra that share  a cornercorner with one Nd(1)O7 hexagonal pyramid, corners with six equivalent Nd(2)O7 pentagonal bipyramids,  an edgeedge with one Nd(1)O7 hexagonal pyramid, and edges with two equivalent Nd(2)O7 pentagonal bipyramids. The Ga(1)-O(1) bond length is 1.85 Å. The Ga(1)-O(2) bond length is 1.88 Å. Both Ga(1)-O(4) bond lengths are 1.88 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ga(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(2) and one Ga(1) atom. In the third O site, O(3) is bonded to two equivalent Nd(1) and two equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(3)Nd4 tetrahedra, corners with six equivalent O(4)Nd3Ga trigonal pyramids, edges with three equivalent O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid. In the fourth O site, O(4) is bonded to one Nd(1), two equivalent Nd(2), and one Ga(1) atom to form distorted ONd3Ga trigonal pyramids that share corners with six equivalent O(3)Nd4 tetrahedra, corners with two equivalent O(4)Nd3Ga trigonal pyramids,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd3Ga trigonal pyramid.