LiTa3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the second Ta site, Ta(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TaO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Ta(2) atoms.
LiTa3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. Both Li(1)-O(1) bond lengths are 2.13 Å. Both Li(1)-O(2) bond lengths are 2.08 Å. Both Li(1)-O(3) bond lengths are 2.39 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. Both Ta(1)-O(1) bond lengths are 2.04 Å. Both Ta(1)-O(3) bond lengths are 1.97 Å. Both Ta(1)-O(4) bond lengths are 1.96 Å. In the second Ta site, Ta(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted TaO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. The Ta(2)-O(1) bond length is 1.87 Å. The Ta(2)-O(3) bond length is 1.93 Å. There is one shorter (1.90 Å) and one longer (2.02 Å) Ta(2)-O(2) bond length. There is one shorter (2.07 Å) and one longer (2.27 Å) Ta(2)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Ta(2) atoms.