Mn3PbP3O12 crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1), one Pb(1), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1), one Pb(1), and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2), one Pb(1), and one P(1) atom.
Mn3PbP3O12 crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. Both Mn(1)-O(2) bond lengths are 2.16 Å. Both Mn(1)-O(3) bond lengths are 2.22 Å. Both Mn(1)-O(4) bond lengths are 2.22 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. Both Mn(2)-O(1) bond lengths are 2.28 Å. All Mn(2)-O(4) bond lengths are 1.98 Å. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Both Pb(1)-O(1) bond lengths are 2.66 Å. Both Pb(1)-O(2) bond lengths are 2.83 Å. All Pb(1)-O(3) bond lengths are 2.74 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. Both P(1)-O(1) bond lengths are 1.54 Å. Both P(1)-O(2) bond lengths are 1.57 Å. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. Both P(2)-O(3) bond lengths are 1.53 Å. Both P(2)-O(4) bond lengths are 1.60 Å. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1), one Pb(1), and one P(1) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Mn(1), one Pb(1), and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2), one Pb(1), and one P(1) atom.