CrTa2O6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with four equivalent Ta(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the second Ta site, Ta(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(1) atom.
CrTa2O6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with four equivalent Ta(2)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. The Ta(1)-O(1) bond length is 1.97 Å. The Ta(1)-O(3) bond length is 2.00 Å. Both Ta(1)-O(2) bond lengths are 2.01 Å. There is one shorter (2.00 Å) and one longer (2.03 Å) Ta(1)-O(4) bond length. In the second Ta site, Ta(2) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. The Ta(2)-O(1) bond length is 1.97 Å. The Ta(2)-O(3) bond length is 2.05 Å. Both Ta(2)-O(2) bond lengths are 1.99 Å. Both Ta(2)-O(5) bond lengths are 2.03 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Both Cr(1)-O(1) bond lengths are 2.31 Å. Both Cr(1)-O(3) bond lengths are 2.10 Å. Both Cr(1)-O(5) bond lengths are 2.15 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Both Cr(2)-O(4) bond lengths are 2.14 Å. All Cr(2)-O(2) bond lengths are 2.15 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(1) atom.