MgLaTa2CuO7Cl crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 5-coordinate geometry to four equivalent O(1) and one Cl(1) atom. La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(5) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(3), one O(5), and four equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), and four equivalent O(2) atoms. Cu(1) is bonded in a distorted linear geometry to one O(3), one O(4), and four equivalent Cl(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent La(1), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent La(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(2) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent La(1), one Ta(1), and one Ta(2) atom. Cl(1) is bonded to one Mg(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing ClMgCu4 square pyramids.
MgLaTa2CuO7Cl crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 5-coordinate geometry to four equivalent O(1) and one Cl(1) atom. All Mg(1)-O(1) bond lengths are 2.48 Å. The Mg(1)-Cl(1) bond length is 2.27 Å. La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(5) atoms. All La(1)-O(1) bond lengths are 3.10 Å. All La(1)-O(2) bond lengths are 2.50 Å. All La(1)-O(5) bond lengths are 2.88 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(3), one O(5), and four equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 3°. The Ta(1)-O(3) bond length is 1.87 Å. The Ta(1)-O(5) bond length is 2.05 Å. All Ta(1)-O(1) bond lengths are 2.02 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), and four equivalent O(2) atoms. The Ta(2)-O(4) bond length is 1.78 Å. The Ta(2)-O(5) bond length is 2.28 Å. All Ta(2)-O(2) bond lengths are 2.07 Å. Cu(1) is bonded in a distorted linear geometry to one O(3), one O(4), and four equivalent Cl(1) atoms. The Cu(1)-O(3) bond length is 1.89 Å. The Cu(1)-O(4) bond length is 1.86 Å. All Cu(1)-Cl(1) bond lengths are 2.86 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent La(1), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent La(1) and two equivalent Ta(2) atoms. In the third O site, O(3) is bonded in a linear geometry to one Ta(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(2) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent La(1), one Ta(1), and one Ta(2) atom. Cl(1) is bonded to one Mg(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing ClMgCu4 square pyramids.