MnO2 is Rutile-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms.
MnO2 is Rutile-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Mn(1)-O(4) bond length is 1.90 Å. Both Mn(1)-O(3) bond lengths are 1.90 Å. All Mn(1)-O(2) bond lengths are 1.90 Å. In the second Mn site, Mn(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Mn(2)-O(3) bond length is 1.92 Å. Both Mn(2)-O(4) bond lengths are 1.88 Å. All Mn(2)-O(1) bond lengths are 1.90 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms.