CaGd2O4 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. In the second Gd site, Gd(2) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Gd(2), and two equivalent Gd(1) atoms. In the second O site, O(2) is bonded to two equivalent Ca(1) and three equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Gd3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing OCa2Gd3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1), one Gd(1), and two equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Gd3 trigonal bipyramids.
CaGd2O4 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There is one shorter (2.78 Å) and one longer (2.87 Å) Ca(1)-O(1) bond length. Both Ca(1)-O(2) bond lengths are 2.56 Å. Both Ca(1)-O(3) bond lengths are 2.55 Å. Both Ca(1)-O(4) bond lengths are 2.60 Å. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Gd(1)-O(4) bond length is 2.32 Å. Both Gd(1)-O(1) bond lengths are 2.21 Å. There is one shorter (2.39 Å) and two longer (2.42 Å) Gd(1)-O(3) bond lengths. In the second Gd site, Gd(2) is bonded to one O(1), two equivalent O(4), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-69°. The Gd(2)-O(1) bond length is 2.25 Å. Both Gd(2)-O(4) bond lengths are 2.36 Å. There is one shorter (2.31 Å) and two longer (2.38 Å) Gd(2)-O(2) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Gd(2), and two equivalent Gd(1) atoms. In the second O site, O(2) is bonded to two equivalent Ca(1) and three equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Gd3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ca(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing OCa2Gd3 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Ca(1), one Gd(1), and two equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing OCa2Gd3 trigonal bipyramids.