Mn3Sb(PO4)4 crystallizes in the monoclinic Cm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(6), two equivalent O(14), and two equivalent O(18) atoms. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(14), one O(17), one O(18), and one O(4) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(4)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(19), one O(20), one O(3), and one O(7) atom. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(5), two equivalent O(13), and two equivalent O(17) atoms to form distorted MnO6 pentagonal pyramids that share corners with four equivalent Mn(2)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(16), and two equivalent O(19) atoms to form SbO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(9), two equivalent O(15), and two equivalent O(20) atoms to form SbO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), and two equivalent O(13) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 pentagonal pyramid, corners with two equivalent Mn(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(4)O6 pentagonal pyramid. In the second P site, P(2) is bonded to one O(10), one O(2), and two equivalent O(14) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid, and corners with two equivalent Mn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 47°. In the third P site, P(3) is bonded to one O(6), one O(8), and two equivalent O(15) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra and  an edgeedge with one Sb(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 38°. In the fourth P site, P(4) is bonded to one O(5), one O(9), and two equivalent O(16) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one Sb(2)O6 pentagonal pyramid, and  an edgeedge with one Sb(1)O6 octahedra. In the fifth P site, P(5) is bonded to one O(17), one O(18), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 pentagonal pyramid,  a cornercorner with one Mn(4)O6 pentagonal pyramid, and  an edgeedge with one Mn(2)O6 pentagonal pyramid. In the sixth P site, P(6) is bonded to one O(12), one O(19), one O(20), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Mn(2)O6 pentagonal pyramid, and  a cornercorner with one Sb(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(3), one Sb(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(3), one Sb(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(3), one Sb(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mn(3), one Sb(2), and one P(6) atom.
Mn3Sb(PO4)4 crystallizes in the monoclinic Cm space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(6), two equivalent O(14), and two equivalent O(18) atoms. The Mn(1)-O(11) bond length is 1.90 Å. The Mn(1)-O(6) bond length is 1.93 Å. Both Mn(1)-O(14) bond lengths are 2.60 Å. Both Mn(1)-O(18) bond lengths are 1.99 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(14), one O(17), one O(18), and one O(4) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(4)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The Mn(2)-O(12) bond length is 1.94 Å. The Mn(2)-O(13) bond length is 2.05 Å. The Mn(2)-O(14) bond length is 2.03 Å. The Mn(2)-O(17) bond length is 2.43 Å. The Mn(2)-O(18) bond length is 2.40 Å. The Mn(2)-O(4) bond length is 1.91 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(15), one O(16), one O(19), one O(20), one O(3), and one O(7) atom. The Mn(3)-O(15) bond length is 2.17 Å. The Mn(3)-O(16) bond length is 2.28 Å. The Mn(3)-O(19) bond length is 2.60 Å. The Mn(3)-O(20) bond length is 2.20 Å. The Mn(3)-O(3) bond length is 2.03 Å. The Mn(3)-O(7) bond length is 2.02 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(5), two equivalent O(13), and two equivalent O(17) atoms to form distorted MnO6 pentagonal pyramids that share corners with four equivalent Mn(2)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The Mn(4)-O(10) bond length is 1.95 Å. The Mn(4)-O(5) bond length is 2.00 Å. Both Mn(4)-O(13) bond lengths are 2.41 Å. Both Mn(4)-O(17) bond lengths are 2.02 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(16), and two equivalent O(19) atoms to form SbO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The Sb(1)-O(2) bond length is 2.00 Å. The Sb(1)-O(8) bond length is 2.01 Å. Both Sb(1)-O(16) bond lengths are 2.09 Å. Both Sb(1)-O(19) bond lengths are 1.99 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(9), two equivalent O(15), and two equivalent O(20) atoms to form SbO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The Sb(2)-O(1) bond length is 2.13 Å. The Sb(2)-O(9) bond length is 2.29 Å. Both Sb(2)-O(15) bond lengths are 2.31 Å. Both Sb(2)-O(20) bond lengths are 2.37 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), and two equivalent O(13) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 pentagonal pyramid, corners with two equivalent Mn(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(4)O6 pentagonal pyramid. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(11) bond length is 1.56 Å. Both P(1)-O(13) bond lengths are 1.56 Å. In the second P site, P(2) is bonded to one O(10), one O(2), and two equivalent O(14) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid, and corners with two equivalent Mn(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 47°. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.60 Å. Both P(2)-O(14) bond lengths are 1.55 Å. In the third P site, P(3) is bonded to one O(6), one O(8), and two equivalent O(15) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra and  an edgeedge with one Sb(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 38°. The P(3)-O(6) bond length is 1.53 Å. The P(3)-O(8) bond length is 1.57 Å. Both P(3)-O(15) bond lengths are 1.56 Å. In the fourth P site, P(4) is bonded to one O(5), one O(9), and two equivalent O(16) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one Sb(2)O6 pentagonal pyramid, and  an edgeedge with one Sb(1)O6 octahedra. The P(4)-O(5) bond length is 1.53 Å. The P(4)-O(9) bond length is 1.51 Å. Both P(4)-O(16) bond lengths are 1.62 Å. In the fifth P site, P(5) is bonded to one O(17), one O(18), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 pentagonal pyramid,  a cornercorner with one Mn(4)O6 pentagonal pyramid, and  an edgeedge with one Mn(2)O6 pentagonal pyramid. The P(5)-O(17) bond length is 1.57 Å. The P(5)-O(18) bond length is 1.58 Å. The P(5)-O(4) bond length is 1.55 Å. The P(5)-O(7) bond length is 1.52 Å. In the sixth P site, P(6) is bonded to one O(12), one O(19), one O(20), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Mn(2)O6 pentagonal pyramid, and  a cornercorner with one Sb(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 54°. The P(6)-O(12) bond length is 1.54 Å. The P(6)-O(19) bond length is 1.64 Å. The P(6)-O(20) bond length is 1.55 Å. The P(6)-O(3) bond length is 1.51 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(6) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(3), one Sb(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mn(3), one Sb(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(3), one Sb(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mn(3), one Sb(2), and one P(6) atom.