MgTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one Zn(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O4 trigonal pyramid, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 19-47°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 19-47°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form ZnO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-77°. In the second Zn site, Zn(2) is bonded in a distorted water-like geometry to one Mg(1), one O(3), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-59°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 16-46°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.
MgTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one Zn(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The Mg(1)-Zn(2) bond length is 2.54 Å. The Mg(1)-O(4) bond length is 2.27 Å. The Mg(1)-O(5) bond length is 2.08 Å. The Mg(1)-O(6) bond length is 2.40 Å. The Mg(1)-O(8) bond length is 2.02 Å. The Mg(1)-O(9) bond length is 2.09 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Zn(1)O4 trigonal pyramid, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 19-47°. The Ti(1)-O(10) bond length is 2.01 Å. The Ti(1)-O(2) bond length is 2.08 Å. The Ti(1)-O(4) bond length is 2.25 Å. The Ti(1)-O(5) bond length is 2.43 Å. The Ti(1)-O(7) bond length is 2.17 Å. The Ti(1)-O(9) bond length is 1.89 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 19-47°. The Ti(2)-O(1) bond length is 2.37 Å. The Ti(2)-O(10) bond length is 1.97 Å. The Ti(2)-O(3) bond length is 2.36 Å. The Ti(2)-O(6) bond length is 2.06 Å. The Ti(2)-O(8) bond length is 2.23 Å. The Ti(2)-O(9) bond length is 2.05 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form ZnO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-77°. The Zn(1)-O(1) bond length is 2.10 Å. The Zn(1)-O(10) bond length is 1.97 Å. The Zn(1)-O(4) bond length is 2.07 Å. The Zn(1)-O(7) bond length is 2.08 Å. In the second Zn site, Zn(2) is bonded in a distorted water-like geometry to one Mg(1), one O(3), and one O(9) atom. The Zn(2)-O(3) bond length is 1.99 Å. The Zn(2)-O(9) bond length is 2.16 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-59°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.59 Å. The P(1)-O(8) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and  a cornercorner with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 16-46°. The P(2)-O(3) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.58 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.54 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Zn(1) atom.