MnCo3(PO4)4 crystallizes in the monoclinic Pm space group. Mn(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Co(2)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CoO6 pentagonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom.
MnCo3(PO4)4 crystallizes in the monoclinic Pm space group. Mn(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Co(2)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The Mn(1)-O(1) bond length is 1.90 Å. The Mn(1)-O(9) bond length is 1.90 Å. Both Mn(1)-O(11) bond lengths are 2.01 Å. Both Mn(1)-O(5) bond lengths are 2.31 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Co(1)-O(12) bond length is 1.89 Å. The Co(1)-O(4) bond length is 1.89 Å. Both Co(1)-O(2) bond lengths are 2.11 Å. Both Co(1)-O(8) bond lengths are 2.11 Å. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CoO6 pentagonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. The Co(2)-O(3) bond length is 1.90 Å. The Co(2)-O(7) bond length is 1.88 Å. Both Co(2)-O(11) bond lengths are 2.30 Å. Both Co(2)-O(5) bond lengths are 1.97 Å. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Co(3)-O(10) bond length is 1.88 Å. The Co(3)-O(6) bond length is 1.89 Å. Both Co(3)-O(2) bond lengths are 2.11 Å. Both Co(3)-O(8) bond lengths are 2.11 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(10) bond length is 1.54 Å. Both P(1)-O(2) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(9) bond length is 1.53 Å. Both P(2)-O(5) bond lengths are 1.58 Å. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. The P(3)-O(4) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.54 Å. Both P(3)-O(8) bond lengths are 1.57 Å. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-54°. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(3) bond length is 1.53 Å. Both P(4)-O(11) bond lengths are 1.56 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom.