BiMnO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Bi(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-74°. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 trigonal pyramids.
BiMnO3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. The Mn(1)-O(1) bond length is 1.92 Å. The Mn(1)-O(3) bond length is 2.21 Å. The Mn(1)-O(4) bond length is 1.93 Å. The Mn(1)-O(5) bond length is 1.96 Å. The Mn(1)-O(6) bond length is 2.09 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Bi(1)O5 trigonal bipyramids. Both Mn(2)-O(1) bond lengths are 2.24 Å. Both Mn(2)-O(3) bond lengths are 1.96 Å. Both Mn(2)-O(4) bond lengths are 2.00 Å. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. Both Mn(3)-O(5) bond lengths are 1.93 Å. Both Mn(3)-O(6) bond lengths are 1.91 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-74°. The Bi(1)-O(1) bond length is 2.31 Å. The Bi(1)-O(2) bond length is 2.17 Å. The Bi(1)-O(3) bond length is 2.24 Å. The Bi(1)-O(5) bond length is 2.64 Å. The Bi(1)-O(6) bond length is 2.55 Å. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(2) atoms. The Bi(2)-O(4) bond length is 2.38 Å. The Bi(2)-O(5) bond length is 2.40 Å. The Bi(2)-O(6) bond length is 2.22 Å. There is one shorter (2.42 Å) and one longer (2.44 Å) Bi(2)-O(2) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Bi(1) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(3), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OMn2Bi2 trigonal pyramids.