Gd2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Gd site, Gd(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Gd(3) and one Mo(1) atom. In the second O site, O(6) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Mo(1) atom to form OGd3Mo tetrahedra that share corners with two equivalent O(6)Gd3Mo tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra, and  an edgeedge with one O(1)Gd4 tetrahedra. In the third O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(6)Gd3Mo tetrahedra,  an edgeedge with one O(6)Gd3Mo tetrahedra, and edges with three equivalent O(1)Gd4 tetrahedra. In the fourth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Gd(1) and one Mo(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), and one Mo(1) atom.
Gd2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Gd(1)-O(4) bond length is 2.69 Å. The Gd(1)-O(6) bond length is 2.30 Å. There is one shorter (2.21 Å) and one longer (2.29 Å) Gd(1)-O(1) bond length. There is one shorter (2.43 Å) and one longer (2.47 Å) Gd(1)-O(2) bond length. There is one shorter (2.48 Å) and one longer (2.59 Å) Gd(1)-O(3) bond length. In the second Gd site, Gd(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. Both Gd(2)-O(4) bond lengths are 2.78 Å. Both Gd(2)-O(6) bond lengths are 2.33 Å. There are two shorter (2.26 Å) and two longer (2.41 Å) Gd(2)-O(1) bond lengths. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms. Both Gd(3)-O(4) bond lengths are 2.47 Å. Both Gd(3)-O(6) bond lengths are 2.24 Å. There are two shorter (2.42 Å) and two longer (2.52 Å) Gd(3)-O(5) bond lengths. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mo(1)-O(2) bond length is 1.82 Å. The Mo(1)-O(3) bond length is 1.79 Å. The Mo(1)-O(4) bond length is 1.81 Å. The Mo(1)-O(5) bond length is 1.78 Å. The Mo(1)-O(6) bond length is 2.22 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Gd(3) and one Mo(1) atom. In the second O site, O(6) is bonded to one Gd(1), one Gd(2), one Gd(3), and one Mo(1) atom to form OGd3Mo tetrahedra that share corners with two equivalent O(6)Gd3Mo tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra, and  an edgeedge with one O(1)Gd4 tetrahedra. In the third O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(6)Gd3Mo tetrahedra,  an edgeedge with one O(6)Gd3Mo tetrahedra, and edges with three equivalent O(1)Gd4 tetrahedra. In the fourth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Gd(1) and one Mo(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), and one Mo(1) atom.