The structure described by MnO2 is Rutile-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to one O(10), one O(4), two equivalent O(12), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), two equivalent O(5), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), two equivalent O(10), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fifth Mn site, Mn(5) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Mn site, Mn(6) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(6) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(6) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.857
_cell_length_b   4.444
_cell_length_c   6.972
_cell_angle_alpha   87.954
_cell_angle_beta   78.184
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   86.592
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.662  0.520  0.681  1.0
  Mn  Mn1  1  0.344  0.484  0.316  1.0
  Mn  Mn2  1  0.005  0.002  0.998  1.0
  O  O3  1  0.443  0.195  0.121  1.0
  O  O4  1  0.565  0.807  0.877  1.0
  O  O5  1  0.902  0.699  0.201  1.0
  O  O6  1  0.104  0.305  0.798  1.0
  O  O7  1  0.776  0.287  0.453  1.0
  O  O8  1  0.230  0.716  0.545  1.0
[/CIF]
.
The structure described by MnO2 is Rutile-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Mn site, Mn(2) is bonded to one O(10), one O(4), two equivalent O(12), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), two equivalent O(5), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), two equivalent O(10), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fifth Mn site, Mn(5) is bonded to one O(6), one O(7), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Mn site, Mn(6) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(6) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(4) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(6) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.857
_cell_length_b   4.444
_cell_length_c   6.972
_cell_angle_alpha   87.954
_cell_angle_beta   78.184
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   86.592
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.662  0.520  0.681  1.0
  Mn  Mn1  1  0.344  0.484  0.316  1.0
  Mn  Mn2  1  0.005  0.002  0.998  1.0
  O  O3  1  0.443  0.195  0.121  1.0
  O  O4  1  0.565  0.807  0.877  1.0
  O  O5  1  0.902  0.699  0.201  1.0
  O  O6  1  0.104  0.305  0.798  1.0
  O  O7  1  0.776  0.287  0.453  1.0
  O  O8  1  0.230  0.716  0.545  1.0
[/CIF]
.