MgTa2O6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 25-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Ta(1) atoms.
MgTa2O6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Mg(1)-O(3) bond length is 2.09 Å. The Mg(1)-O(4) bond length is 2.21 Å. Both Mg(1)-O(1) bond lengths are 2.13 Å. Both Mg(1)-O(2) bond lengths are 2.33 Å. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 25-45°. The Ta(1)-O(3) bond length is 2.03 Å. The Ta(1)-O(4) bond length is 1.97 Å. There is one shorter (1.97 Å) and one longer (2.05 Å) Ta(1)-O(1) bond length. There is one shorter (1.94 Å) and one longer (2.04 Å) Ta(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Ta(1) atoms.