Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent N(1), two equivalent O(2), and two equivalent O(3) atoms to form TaN2O4 octahedra that share corners with four equivalent Ta(2)O6 octahedra, corners with four equivalent Cr(1)N2O4 octahedra,  an edgeedge with one Ta(1)N2O4 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second Ta site, Ta(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)N2O4 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Cr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(1) and four equivalent O(3) atoms to form CrN2O4 octahedra that share corners with eight equivalent Ta(1)N2O4 octahedra and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(2) 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.
Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent N(1), two equivalent O(2), and two equivalent O(3) atoms to form TaN2O4 octahedra that share corners with four equivalent Ta(2)O6 octahedra, corners with four equivalent Cr(1)N2O4 octahedra,  an edgeedge with one Ta(1)N2O4 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. Both Ta(1)-N(1) bond lengths are 1.96 Å. Both Ta(1)-O(2) bond lengths are 2.13 Å. Both Ta(1)-O(3) bond lengths are 2.06 Å. In the second Ta site, Ta(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)N2O4 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Cr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. Both Ta(2)-O(1) bond lengths are 2.03 Å. Both Ta(2)-O(2) bond lengths are 2.01 Å. Both Ta(2)-O(3) bond lengths are 1.97 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent N(1) and four equivalent O(3) atoms to form CrN2O4 octahedra that share corners with eight equivalent Ta(1)N2O4 octahedra and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Both Cr(1)-N(1) bond lengths are 2.03 Å. All Cr(1)-O(3) bond lengths are 2.08 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(2)O6 octahedra and edges with two equivalent Ta(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. Both Cr(2)-O(1) bond lengths are 2.06 Å. All Cr(2)-O(2) bond lengths are 2.02 Å. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(2) 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.