LiTaOSiO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. Ta(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Si(1) atom.
LiTaOSiO4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-O(2) bond length is 1.93 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(5) bond length is 1.99 Å. Ta(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. The Ta(1)-O(1) bond length is 1.99 Å. The Ta(1)-O(3) bond length is 1.99 Å. The Ta(1)-O(4) bond length is 1.93 Å. The Ta(1)-O(5) bond length is 2.04 Å. There is one shorter (1.90 Å) and one longer (2.04 Å) Ta(1)-O(2) bond length. Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. The Si(1)-O(1) bond length is 1.63 Å. The Si(1)-O(3) bond length is 1.63 Å. The Si(1)-O(4) bond length is 1.63 Å. The Si(1)-O(5) bond length is 1.62 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Ta(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ta(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ta(1), and one Si(1) atom.