CrTaO4 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 six equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with six equivalent Ta(1)O6 octahedra, and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. 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 Cr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom.
CrTaO4 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 six equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Both Ta(1)-O(1) bond lengths are 1.92 Å. There are two shorter (2.01 Å) and two longer (2.09 Å) Ta(1)-O(2) bond lengths. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with six equivalent Ta(1)O6 octahedra, and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Both Cr(1)-O(2) bond lengths are 2.05 Å. There are two shorter (2.06 Å) and two longer (2.07 Å) Cr(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 Cr(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom.