MgZn2(PO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 61°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-54°. 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), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Zn(1), and one P(1) atom.
MgZn2(PO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra, corners with two equivalent Zn(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Both Mg(1)-O(1) bond lengths are 2.21 Å. Both Mg(1)-O(2) bond lengths are 2.21 Å. Both Mg(1)-O(4) bond lengths are 2.00 Å. Zn(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 61°. The Zn(1)-O(1) bond length is 1.98 Å. The Zn(1)-O(2) bond length is 2.02 Å. The Zn(1)-O(4) bond length is 2.37 Å. There is one shorter (2.00 Å) and one longer (2.04 Å) Zn(1)-O(3) bond length. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-54°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.54 Å. 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), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Zn(1), and one P(1) atom.