MnO2 is Rutile-like structured and crystallizes in the tetragonal P4_2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms.
MnO2 is Rutile-like structured and crystallizes in the tetragonal P4_2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. 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(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. The Mn(2)-O(2) bond length is 1.91 Å. Both Mn(2)-O(3) bond lengths are 1.90 Å. There are two shorter (1.88 Å) and one longer (1.89 Å) Mn(2)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms.