MnTa2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. In the second Ta site, Ta(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with six equivalent Ta(2)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom.
MnTa2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. Both Ta(1)-O(1) bond lengths are 2.04 Å. There are two shorter (1.95 Å) and two longer (2.01 Å) Ta(1)-O(3) bond lengths. In the second Ta site, Ta(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with six equivalent Mn(1)O6 octahedra, and edges with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. Both Ta(2)-O(1) bond lengths are 1.95 Å. There are two shorter (1.97 Å) and two longer (2.07 Å) Ta(2)-O(2) bond lengths. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with six equivalent Ta(2)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. Both Mn(1)-O(1) bond lengths are 2.18 Å. Both Mn(1)-O(2) bond lengths are 2.05 Å. Both Mn(1)-O(3) bond lengths are 2.31 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Mn(1) atom.