MgMn2Zn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OMgMn2Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OMgMn2Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Zn(2) atom.
MgMn2Zn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Mg(1)-O(1) bond length is 2.29 Å. The Mg(1)-O(2) bond length is 2.28 Å. The Mg(1)-O(3) bond length is 2.33 Å. The Mg(1)-O(4) bond length is 2.02 Å. The Mg(1)-O(5) bond length is 2.02 Å. The Mg(1)-O(6) bond length is 2.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. The Mn(1)-O(1) bond length is 2.12 Å. The Mn(1)-O(2) bond length is 2.10 Å. The Mn(1)-O(3) bond length is 2.12 Å. The Mn(1)-O(4) bond length is 2.17 Å. The Mn(1)-O(5) bond length is 2.16 Å. The Mn(1)-O(6) bond length is 2.17 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(2) bond length is 1.97 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-O(4) bond length is 1.99 Å. The Mn(2)-O(5) bond length is 1.99 Å. The Mn(2)-O(6) bond length is 1.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The Zn(1)-O(1) bond length is 1.98 Å. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(3) bond length is 1.98 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Zn(2)-O(1) bond length is 2.38 Å. The Zn(2)-O(2) bond length is 2.43 Å. The Zn(2)-O(3) bond length is 2.35 Å. The Zn(2)-O(4) bond length is 2.04 Å. The Zn(2)-O(5) bond length is 2.04 Å. The Zn(2)-O(6) bond length is 2.03 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OMgMn2Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing OMgMn2Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Zn(2) atom.