LiTaO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with four equivalent Ta(1)O6 pentagonal pyramids, and edges with four equivalent Ta(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 54-59°. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TaO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Ta(1)O6 pentagonal pyramids, edges with four equivalent Li(1)O6 octahedra, and edges with two equivalent Ta(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 52-77°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and two equivalent Ta(1) atoms to form a mixture of distorted edge and corner-sharing OLi2Ta2 trigonal pyramids.
LiTaO3 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, corners with four equivalent Ta(1)O6 pentagonal pyramids, and edges with four equivalent Ta(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 54-59°. Both Li(1)-O(1) bond lengths are 2.48 Å. There are two shorter (1.97 Å) and two longer (2.03 Å) Li(1)-O(2) bond lengths. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TaO6 pentagonal pyramids that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Ta(1)O6 pentagonal pyramids, edges with four equivalent Li(1)O6 octahedra, and edges with two equivalent Ta(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 52-77°. There is one shorter (1.92 Å) and one longer (2.08 Å) Ta(1)-O(1) bond length. There are two shorter (1.97 Å) and two longer (2.09 Å) Ta(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and two equivalent Ta(1) atoms to form a mixture of distorted edge and corner-sharing OLi2Ta2 trigonal pyramids.