LiSr2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and four equivalent O(1) atoms. Sr(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sr(1), one La(1), and one Ta(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr2LiLaTa trigonal bipyramids. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one La(1), and one Ta(1) atom.
LiSr2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and four equivalent O(1) atoms. Both Li(1)-Sr(1) bond lengths are 2.87 Å. All Li(1)-O(1) bond lengths are 2.22 Å. Sr(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.72 Å. There are two shorter (3.06 Å) and two longer (3.23 Å) Sr(1)-O(2) bond lengths. La(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both La(1)-O(2) bond lengths are 2.51 Å. All La(1)-O(1) bond lengths are 2.34 Å. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Ta(1)-O(2) bond lengths are 2.04 Å. All Ta(1)-O(1) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sr(1), one La(1), and one Ta(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr2LiLaTa trigonal bipyramids. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one La(1), and one Ta(1) atom.