MgMo2(PO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Mo(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MoO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. In the second P site, P(2) is bonded to four equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom.
MgMo2(PO5)2 crystallizes in the tetragonal P-4 space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.03 Å. Mo(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form MoO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Mo(1)-O(3) bond length is 1.79 Å. Both Mo(1)-O(1) bond lengths are 2.15 Å. Both Mo(1)-O(2) bond lengths are 2.05 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. All P(1)-O(1) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to four equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O5 square pyramids. All P(2)-O(2) bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom.