Mn2Bi2O5 crystallizes in the triclinic P-1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(8), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-59°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), one O(7), and one O(8) atom. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(3), one O(6), and two equivalent O(13) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(15), one O(2), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(14), one O(2), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(14), one O(4), and one O(7) atom. In the second Bi site, Bi(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(2), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(3), and one O(4) atom. In the fourth Bi site, Bi(4) is bonded in a 3-coordinate geometry to one O(11), one O(13), one O(15), and one O(9) atom. In the fifth Bi site, Bi(5) is bonded in a 5-coordinate geometry to one O(15), one O(2), one O(4), one O(5), and one O(8) atom. In the sixth Bi site, Bi(6) is bonded in a see-saw-like geometry to one O(14), one O(15), one O(5), and one O(6) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mn(4), one Mn(5), one Bi(2), and one Bi(5) atom. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Bi(3) atom to form distorted OMn3Bi tetrahedra that share  a cornercorner with one O(8)Mn2Bi2 tetrahedra, corners with two equivalent O(12)Mn3Bi tetrahedra,  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid,  an edgeedge with one O(5)Mn2Bi2 tetrahedra,  an edgeedge with one O(4)MnBi3 tetrahedra, and  an edgeedge with one O(13)Mn2Bi2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Mn(6), one Bi(1), one Bi(3), and one Bi(5) atom to form distorted OMnBi3 tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(8)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra, corners with two equivalent O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid, and  an edgeedge with one O(3)Mn3Bi tetrahedra. In the fifth O site, O(5) is bonded to one Mn(2), one Mn(6), one Bi(5), and one Bi(6) atom to form distorted OMn2Bi2 tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra, corners with two equivalent O(4)MnBi3 tetrahedra,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid,  an edgeedge with one O(8)Mn2Bi2 tetrahedra, and  an edgeedge with one O(3)Mn3Bi tetrahedra. In the sixth O site, O(6) is bonded to one Mn(3), two equivalent Mn(1), and one Bi(6) atom to form OMn3Bi trigonal pyramids that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra, corners with two equivalent O(8)Mn2Bi2 tetrahedra, corners with two equivalent O(13)Mn2Bi2 trigonal pyramids,  an edgeedge with one O(14)Mn2Bi2 tetrahedra,  an edgeedge with one O(12)Mn3Bi tetrahedra, and  an edgeedge with one O(6)Mn3Bi trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(5), one Mn(6), and one Bi(1) atom. In the eighth O site, O(8) is bonded to one Mn(1), one Mn(2), one Bi(2), and one Bi(5) atom to form distorted OMn2Bi2 tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra, corners with two equivalent O(6)Mn3Bi trigonal pyramids, and  an edgeedge with one O(5)Mn2Bi2 tetrahedra. In the ninth O site, O(9) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Bi(4) atom to form OMn3Bi trigonal pyramids that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra, and  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Bi(4) atom. In the twelfth O site, O(12) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Bi(3) atom to form OMn3Bi tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(8)Mn2Bi2 tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra, corners with two equivalent O(3)Mn3Bi tetrahedra,  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid,  an edgeedge with one O(13)Mn2Bi2 trigonal pyramid, and  an edgeedge with one O(6)Mn3Bi trigonal pyramid. In the thirteenth O site, O(13) is bonded to two equivalent Mn(3), one Bi(3), and one Bi(4) atom to form distorted OMn2Bi2 trigonal pyramids that share  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra,  a cornercorner with one O(9)Mn3Bi trigonal pyramid, corners with two equivalent O(6)Mn3Bi trigonal pyramids,  an edgeedge with one O(12)Mn3Bi tetrahedra,  an edgeedge with one O(3)Mn3Bi tetrahedra, and  an edgeedge with one O(13)Mn2Bi2 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mn(1), one Mn(5), one Bi(1), and one Bi(6) atom to form distorted OMn2Bi2 tetrahedra that share  a cornercorner with one O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(8)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid, and  an edgeedge with one O(6)Mn3Bi trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mn(4), one Bi(4), one Bi(5), and one Bi(6) atom.
Mn2Bi2O5 crystallizes in the triclinic P-1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(8), and two equivalent O(6) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-59°. The Mn(1)-O(12) bond length is 2.22 Å. The Mn(1)-O(14) bond length is 2.20 Å. The Mn(1)-O(8) bond length is 2.19 Å. There is one shorter (2.19 Å) and one longer (2.31 Å) Mn(1)-O(6) bond length. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(5), one O(7), and one O(8) atom. The Mn(2)-O(10) bond length is 2.12 Å. The Mn(2)-O(3) bond length is 2.17 Å. The Mn(2)-O(5) bond length is 2.39 Å. The Mn(2)-O(7) bond length is 2.22 Å. The Mn(2)-O(8) bond length is 2.22 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(3), one O(6), and two equivalent O(13) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. The Mn(3)-O(11) bond length is 2.53 Å. The Mn(3)-O(12) bond length is 2.25 Å. The Mn(3)-O(3) bond length is 2.17 Å. The Mn(3)-O(6) bond length is 2.26 Å. There is one shorter (2.24 Å) and one longer (2.29 Å) Mn(3)-O(13) bond length. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(15), one O(2), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(6)O5 trigonal bipyramid,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. The Mn(4)-O(11) bond length is 2.19 Å. The Mn(4)-O(12) bond length is 2.10 Å. The Mn(4)-O(15) bond length is 2.13 Å. The Mn(4)-O(2) bond length is 2.16 Å. The Mn(4)-O(9) bond length is 2.33 Å. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(11), one O(14), one O(2), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. The Mn(5)-O(10) bond length is 2.16 Å. The Mn(5)-O(11) bond length is 2.22 Å. The Mn(5)-O(14) bond length is 2.21 Å. The Mn(5)-O(2) bond length is 2.48 Å. The Mn(5)-O(7) bond length is 2.37 Å. The Mn(5)-O(9) bond length is 2.24 Å. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. The Mn(6)-O(3) bond length is 2.21 Å. The Mn(6)-O(4) bond length is 2.17 Å. The Mn(6)-O(5) bond length is 2.18 Å. The Mn(6)-O(7) bond length is 2.31 Å. The Mn(6)-O(9) bond length is 2.14 Å. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(14), one O(4), and one O(7) atom. The Bi(1)-O(1) bond length is 2.09 Å. The Bi(1)-O(14) bond length is 2.32 Å. The Bi(1)-O(4) bond length is 2.49 Å. The Bi(1)-O(7) bond length is 2.10 Å. In the second Bi site, Bi(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(2), and one O(8) atom. The Bi(2)-O(1) bond length is 2.26 Å. The Bi(2)-O(10) bond length is 2.08 Å. The Bi(2)-O(2) bond length is 2.33 Å. The Bi(2)-O(8) bond length is 2.15 Å. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(3), and one O(4) atom. The Bi(3)-O(12) bond length is 2.18 Å. The Bi(3)-O(13) bond length is 2.40 Å. The Bi(3)-O(3) bond length is 2.19 Å. The Bi(3)-O(4) bond length is 2.34 Å. In the fourth Bi site, Bi(4) is bonded in a 3-coordinate geometry to one O(11), one O(13), one O(15), and one O(9) atom. The Bi(4)-O(11) bond length is 2.12 Å. The Bi(4)-O(13) bond length is 2.16 Å. The Bi(4)-O(15) bond length is 2.81 Å. The Bi(4)-O(9) bond length is 2.11 Å. In the fifth Bi site, Bi(5) is bonded in a 5-coordinate geometry to one O(15), one O(2), one O(4), one O(5), and one O(8) atom. The Bi(5)-O(15) bond length is 2.58 Å. The Bi(5)-O(2) bond length is 2.30 Å. The Bi(5)-O(4) bond length is 2.30 Å. The Bi(5)-O(5) bond length is 2.17 Å. The Bi(5)-O(8) bond length is 2.37 Å. In the sixth Bi site, Bi(6) is bonded in a see-saw-like geometry to one O(14), one O(15), one O(5), and one O(6) atom. The Bi(6)-O(14) bond length is 2.31 Å. The Bi(6)-O(15) bond length is 2.11 Å. The Bi(6)-O(5) bond length is 2.43 Å. The Bi(6)-O(6) bond length is 2.11 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Bi(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mn(4), one Mn(5), one Bi(2), and one Bi(5) atom. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Bi(3) atom to form distorted OMn3Bi tetrahedra that share  a cornercorner with one O(8)Mn2Bi2 tetrahedra, corners with two equivalent O(12)Mn3Bi tetrahedra,  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid,  an edgeedge with one O(5)Mn2Bi2 tetrahedra,  an edgeedge with one O(4)MnBi3 tetrahedra, and  an edgeedge with one O(13)Mn2Bi2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Mn(6), one Bi(1), one Bi(3), and one Bi(5) atom to form distorted OMnBi3 tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(8)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra, corners with two equivalent O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid, and  an edgeedge with one O(3)Mn3Bi tetrahedra. In the fifth O site, O(5) is bonded to one Mn(2), one Mn(6), one Bi(5), and one Bi(6) atom to form distorted OMn2Bi2 tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra, corners with two equivalent O(4)MnBi3 tetrahedra,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid,  an edgeedge with one O(8)Mn2Bi2 tetrahedra, and  an edgeedge with one O(3)Mn3Bi tetrahedra. In the sixth O site, O(6) is bonded to one Mn(3), two equivalent Mn(1), and one Bi(6) atom to form OMn3Bi trigonal pyramids that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra, corners with two equivalent O(8)Mn2Bi2 tetrahedra, corners with two equivalent O(13)Mn2Bi2 trigonal pyramids,  an edgeedge with one O(14)Mn2Bi2 tetrahedra,  an edgeedge with one O(12)Mn3Bi tetrahedra, and  an edgeedge with one O(6)Mn3Bi trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(5), one Mn(6), and one Bi(1) atom. In the eighth O site, O(8) is bonded to one Mn(1), one Mn(2), one Bi(2), and one Bi(5) atom to form distorted OMn2Bi2 tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra, corners with two equivalent O(6)Mn3Bi trigonal pyramids, and  an edgeedge with one O(5)Mn2Bi2 tetrahedra. In the ninth O site, O(9) is bonded to one Mn(4), one Mn(5), one Mn(6), and one Bi(4) atom to form OMn3Bi trigonal pyramids that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra, and  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Bi(4) atom. In the twelfth O site, O(12) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Bi(3) atom to form OMn3Bi tetrahedra that share  a cornercorner with one O(14)Mn2Bi2 tetrahedra,  a cornercorner with one O(8)Mn2Bi2 tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra, corners with two equivalent O(3)Mn3Bi tetrahedra,  a cornercorner with one O(13)Mn2Bi2 trigonal pyramid,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid,  an edgeedge with one O(13)Mn2Bi2 trigonal pyramid, and  an edgeedge with one O(6)Mn3Bi trigonal pyramid. In the thirteenth O site, O(13) is bonded to two equivalent Mn(3), one Bi(3), and one Bi(4) atom to form distorted OMn2Bi2 trigonal pyramids that share  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(3)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra,  a cornercorner with one O(9)Mn3Bi trigonal pyramid, corners with two equivalent O(6)Mn3Bi trigonal pyramids,  an edgeedge with one O(12)Mn3Bi tetrahedra,  an edgeedge with one O(3)Mn3Bi tetrahedra, and  an edgeedge with one O(13)Mn2Bi2 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Mn(1), one Mn(5), one Bi(1), and one Bi(6) atom to form distorted OMn2Bi2 tetrahedra that share  a cornercorner with one O(5)Mn2Bi2 tetrahedra,  a cornercorner with one O(8)Mn2Bi2 tetrahedra,  a cornercorner with one O(12)Mn3Bi tetrahedra,  a cornercorner with one O(4)MnBi3 tetrahedra,  a cornercorner with one O(6)Mn3Bi trigonal pyramid,  a cornercorner with one O(9)Mn3Bi trigonal pyramid, and  an edgeedge with one O(6)Mn3Bi trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mn(4), one Bi(4), one Bi(5), and one Bi(6) atom.