Y2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted YO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Y(1)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with three equivalent Y(1)O7 hexagonal pyramids and edges with two equivalent Y(1)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Te(1) atom. In the second O site, O(1) is bonded to one Y(2), two equivalent Y(1), and one Te(1) atom to form distorted corner-sharing OY3Te tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Te(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Te(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Te(1) atom.
Y2TeO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted YO7 hexagonal pyramids that share corners with three equivalent Te(1)O6 octahedra, edges with two equivalent Y(1)O7 hexagonal pyramids, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. The Y(1)-O(3) bond length is 2.29 Å. The Y(1)-O(4) bond length is 2.25 Å. The Y(1)-O(5) bond length is 2.31 Å. There is one shorter (2.36 Å) and one longer (2.49 Å) Y(1)-O(1) bond length. There is one shorter (2.31 Å) and one longer (2.47 Å) Y(1)-O(2) bond length. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. The Y(2)-O(1) bond length is 2.29 Å. The Y(2)-O(2) bond length is 2.60 Å. The Y(2)-O(3) bond length is 2.43 Å. The Y(2)-O(4) bond length is 2.29 Å. The Y(2)-O(5) bond length is 2.29 Å. There is one shorter (2.23 Å) and one longer (2.26 Å) Y(2)-O(6) bond length. Te(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TeO6 octahedra that share corners with three equivalent Y(1)O7 hexagonal pyramids and edges with two equivalent Y(1)O7 hexagonal pyramids. The Te(1)-O(1) bond length is 1.95 Å. The Te(1)-O(2) bond length is 1.95 Å. The Te(1)-O(3) bond length is 1.93 Å. The Te(1)-O(4) bond length is 1.89 Å. The Te(1)-O(5) bond length is 1.90 Å. The Te(1)-O(6) bond length is 1.91 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a trigonal planar geometry to two equivalent Y(2) and one Te(1) atom. In the second O site, O(1) is bonded to one Y(2), two equivalent Y(1), and one Te(1) atom to form distorted corner-sharing OY3Te tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Y(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Te(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Te(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Te(1) atom.