LiTaNb(AgO3)2 crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent Ag(1) and four equivalent O(2) atoms to form distorted LiAg2O4 octahedra that share corners with four equivalent Li(1)Ag2O4 octahedra, corners with eight equivalent O(1)Nb2Ag4 octahedra, and edges with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with four equivalent Li(1)Ag2O4 octahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ag(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nb(1) and four equivalent Ag(1) atoms to form distorted ONb2Ag4 octahedra that share corners with two equivalent O(1)Nb2Ag4 octahedra, corners with four equivalent Li(1)Ag2O4 octahedra, edges with two equivalent O(1)Nb2Ag4 octahedra, and faces with four equivalent O(1)Nb2Ag4 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Nb(1) atom.
LiTaNb(AgO3)2 crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent Ag(1) and four equivalent O(2) atoms to form distorted LiAg2O4 octahedra that share corners with four equivalent Li(1)Ag2O4 octahedra, corners with eight equivalent O(1)Nb2Ag4 octahedra, and edges with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. Both Li(1)-Ag(1) bond lengths are 2.51 Å. All Li(1)-O(2) bond lengths are 2.04 Å. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with four equivalent Li(1)Ag2O4 octahedra. The corner-sharing octahedra are not tilted. Both Ta(1)-O(3) bond lengths are 2.00 Å. All Ta(1)-O(2) bond lengths are 2.04 Å. Nb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Nb(1)-O(3) bond lengths are 2.07 Å. All Nb(1)-O(1) bond lengths are 2.04 Å. Ag(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent O(1) atoms. All Ag(1)-O(1) bond lengths are 2.57 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nb(1) and four equivalent Ag(1) atoms to form distorted ONb2Ag4 octahedra that share corners with two equivalent O(1)Nb2Ag4 octahedra, corners with four equivalent Li(1)Ag2O4 octahedra, edges with two equivalent O(1)Nb2Ag4 octahedra, and faces with four equivalent O(1)Nb2Ag4 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Nb(1) atom.