BiMn6PO12 crystallizes in the cubic F-43m space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Bi(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. P(1) is bonded to four equivalent O(3) atoms to form PO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(1) and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OMn3Bi tetrahedra. In the second O site, O(2) is bonded to three equivalent Mn(1) and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OMn3Bi trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one P(1) atom.
BiMn6PO12 crystallizes in the cubic F-43m space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Both Mn(1)-O(1) bond lengths are 2.02 Å. Both Mn(1)-O(2) bond lengths are 2.07 Å. Both Mn(1)-O(3) bond lengths are 2.37 Å. Bi(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Bi(1)-O(1) bond lengths are 2.43 Å. All Bi(1)-O(2) bond lengths are 2.48 Å. P(1) is bonded to four equivalent O(3) atoms to form PO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. All P(1)-O(3) bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(1) and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OMn3Bi tetrahedra. In the second O site, O(2) is bonded to three equivalent Mn(1) and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OMn3Bi trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one P(1) atom.