TaAlO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms.
TaAlO4 is Hydrophilite-derived structured and crystallizes in the tetragonal I4_1md space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. Both Ta(1)-O(2) bond lengths are 1.94 Å. There are two shorter (2.01 Å) and two longer (2.06 Å) Ta(1)-O(1) bond lengths. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Al(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. Both Al(1)-O(1) bond lengths are 1.91 Å. There are two shorter (1.96 Å) and two longer (1.97 Å) Al(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms.