Mn3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-55°. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Mn(1), one Mn(2), one Zn(1), and one As(2) atom to form distorted corner-sharing OMn2ZnAs tetrahedra. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Zn(1), and one As(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one As(1) atom.
Mn3Zn3(AsO4)4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra, and  an edgeedge with one Zn(2)O6 octahedra. The Mn(1)-O(1) bond length is 2.11 Å. The Mn(1)-O(2) bond length is 2.14 Å. The Mn(1)-O(4) bond length is 2.14 Å. The Mn(1)-O(7) bond length is 2.20 Å. The Mn(1)-O(8) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(7) atoms. Both Mn(2)-O(5) bond lengths are 2.08 Å. Both Mn(2)-O(7) bond lengths are 2.15 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. The Zn(1)-O(1) bond length is 2.08 Å. The Zn(1)-O(3) bond length is 1.92 Å. The Zn(1)-O(4) bond length is 2.09 Å. The Zn(1)-O(5) bond length is 2.38 Å. The Zn(1)-O(7) bond length is 2.23 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with two equivalent As(2)O4 tetrahedra, corners with four equivalent As(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. Both Zn(2)-O(2) bond lengths are 2.12 Å. Both Zn(2)-O(6) bond lengths are 1.99 Å. Both Zn(2)-O(8) bond lengths are 2.33 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra and corners with three equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-55°. The As(1)-O(1) bond length is 1.74 Å. The As(1)-O(4) bond length is 1.77 Å. The As(1)-O(6) bond length is 1.69 Å. The As(1)-O(8) bond length is 1.72 Å. In the second As site, As(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Zn(2)O6 octahedra and corners with two equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. The As(2)-O(2) bond length is 1.72 Å. The As(2)-O(3) bond length is 1.69 Å. The As(2)-O(5) bond length is 1.72 Å. The As(2)-O(7) bond length is 1.78 Å. There are eight inequivalent O sites. In the first O site, O(7) is bonded to one Mn(1), one Mn(2), one Zn(1), and one As(2) atom to form distorted corner-sharing OMn2ZnAs tetrahedra. In the second O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(2), and one As(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one As(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(2), and one As(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one As(2) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Zn(1), and one As(1) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Zn(1), and one As(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one As(1) atom.