MgCrMn3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Cr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra.
MgCrMn3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. The Mg(1)-O(5) bond length is 1.98 Å. The Mg(1)-O(6) bond length is 2.05 Å. The Mg(1)-O(7) bond length is 2.00 Å. The Mg(1)-O(8) bond length is 1.99 Å. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Cr(1)-O(2) bond length is 2.00 Å. The Cr(1)-O(3) bond length is 2.02 Å. The Cr(1)-O(4) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.04 Å. The Cr(1)-O(6) bond length is 2.06 Å. The Cr(1)-O(8) bond length is 2.04 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Mn(1)-O(1) bond length is 1.90 Å. The Mn(1)-O(3) bond length is 1.93 Å. The Mn(1)-O(4) bond length is 1.90 Å. The Mn(1)-O(5) bond length is 2.00 Å. The Mn(1)-O(6) bond length is 2.01 Å. The Mn(1)-O(7) bond length is 1.98 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The Mn(2)-O(1) bond length is 2.23 Å. The Mn(2)-O(2) bond length is 1.95 Å. The Mn(2)-O(4) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 1.99 Å. The Mn(2)-O(7) bond length is 2.23 Å. The Mn(2)-O(8) bond length is 1.98 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The Mn(3)-O(1) bond length is 1.89 Å. The Mn(3)-O(2) bond length is 1.91 Å. The Mn(3)-O(3) bond length is 1.93 Å. The Mn(3)-O(6) bond length is 2.01 Å. The Mn(3)-O(7) bond length is 1.98 Å. The Mn(3)-O(8) bond length is 2.01 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Cr(1), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(1), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Cr(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMgMn2Cr tetrahedra.