NaErTi2O6 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(3), one O(4), two equivalent O(2), and four equivalent O(1) atoms. Er(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), and four equivalent O(2) atoms. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Er(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Er(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Na(1), one Er(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Er(1), and two equivalent Ti(1) atoms.
NaErTi2O6 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(3), one O(4), two equivalent O(2), and four equivalent O(1) atoms. The Na(1)-O(3) bond length is 2.30 Å. The Na(1)-O(4) bond length is 2.50 Å. Both Na(1)-O(2) bond lengths are 2.39 Å. There are two shorter (2.66 Å) and two longer (2.69 Å) Na(1)-O(1) bond lengths. Er(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), and four equivalent O(2) atoms. The Er(1)-O(3) bond length is 2.28 Å. The Er(1)-O(4) bond length is 2.25 Å. Both Er(1)-O(1) bond lengths are 2.28 Å. There are two shorter (2.41 Å) and two longer (2.68 Å) Er(1)-O(2) bond lengths. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. The Ti(1)-O(3) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.99 Å. There is one shorter (1.91 Å) and one longer (2.03 Å) Ti(1)-O(1) bond length. There is one shorter (1.92 Å) and one longer (2.10 Å) Ti(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Er(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Er(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Na(1), one Er(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Er(1), and two equivalent Ti(1) atoms.