Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(2)NO5 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Ta site, Ta(2) is bonded to one N(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(2)N2O4 octahedra,  an edgeedge with one Ta(2)NO5 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)NO5 octahedra and edges with two equivalent Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cr site, Cr(2) is bonded to two equivalent N(1), two equivalent O(3), and two equivalent O(4) atoms to form CrN2O4 octahedra that share corners with eight equivalent Ta(2)NO5 octahedra and edges with two equivalent Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. N(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) 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(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(2) atom. In the fifth O site, O(5) 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 Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(2)NO5 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Ta(1)-N(1) bond length is 1.97 Å. The Ta(1)-O(1) bond length is 2.09 Å. The Ta(1)-O(2) bond length is 2.05 Å. The Ta(1)-O(3) bond length is 1.96 Å. Both Ta(1)-O(5) bond lengths are 2.05 Å. In the second Ta site, Ta(2) is bonded to one N(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(2)N2O4 octahedra,  an edgeedge with one Ta(2)NO5 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Ta(2)-N(1) bond length is 1.93 Å. The Ta(2)-O(3) bond length is 2.16 Å. Both Ta(2)-O(4) bond lengths are 2.03 Å. Both Ta(2)-O(5) bond lengths are 2.01 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)NO5 octahedra and edges with two equivalent Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Cr(1)-O(1) bond length is 2.04 Å. The Cr(1)-O(2) bond length is 2.10 Å. All Cr(1)-O(5) bond lengths are 2.03 Å. In the second Cr site, Cr(2) is bonded to two equivalent N(1), two equivalent O(3), and two equivalent O(4) atoms to form CrN2O4 octahedra that share corners with eight equivalent Ta(2)NO5 octahedra and edges with two equivalent Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Cr(2)-N(1) bond lengths are 2.05 Å. Both Cr(2)-O(3) bond lengths are 2.07 Å. Both Cr(2)-O(4) bond lengths are 2.07 Å. N(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) 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(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom.