NaGdTi2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(4), and four equivalent O(3) atoms. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Na(1), one Gd(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Gd(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Gd(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Gd(1), and two equivalent Ti(1) atoms.
NaGdTi2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(4), and four equivalent O(3) atoms. The Na(1)-O(1) bond length is 2.32 Å. The Na(1)-O(2) bond length is 2.55 Å. Both Na(1)-O(4) bond lengths are 2.42 Å. There are two shorter (2.67 Å) and two longer (2.71 Å) Na(1)-O(3) bond lengths. Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. The Gd(1)-O(1) bond length is 2.36 Å. The Gd(1)-O(2) bond length is 2.33 Å. Both Gd(1)-O(3) bond lengths are 2.34 Å. There are two shorter (2.47 Å) and two longer (2.70 Å) Gd(1)-O(4) bond lengths. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 20-33°. The Ti(1)-O(1) bond length is 1.96 Å. The Ti(1)-O(2) bond length is 1.98 Å. There is one shorter (1.90 Å) and one longer (2.03 Å) Ti(1)-O(3) bond length. There is one shorter (1.92 Å) and one longer (2.10 Å) Ti(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Na(1), one Gd(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Gd(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Gd(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Gd(1), and two equivalent Ti(1) atoms.