TaAlO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom.
TaAlO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with six equivalent Al(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. Both Ta(1)-O(1) bond lengths are 1.92 Å. There are two shorter (2.01 Å) and two longer (2.08 Å) Ta(1)-O(2) bond lengths. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. Both Al(1)-O(2) bond lengths are 1.89 Å. There are two shorter (1.87 Å) and two longer (1.91 Å) Al(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Al(1) atom.