MgTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms.
MgTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Both Mg(1)-O(2) bond lengths are 2.07 Å. All Mg(1)-O(1) bond lengths are 2.11 Å. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. Both Ta(1)-O(2) bond lengths are 2.00 Å. There are two shorter (1.98 Å) and two longer (1.99 Å) Ta(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms.