The crystal structure described by MnO2 is Rutile-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) 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 three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.647
_cell_length_c   8.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.002
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   239.131
_cell_formula_units_Z   8
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  0.166  0.830  0.211  1.0
  Mn  Mn1  1  0.331  0.664  0.485  1.0
  Mn  Mn2  1  0.166  0.332  0.211  1.0
  Mn  Mn3  1  0.664  0.830  0.211  1.0
  Mn  Mn4  1  0.332  0.165  0.711  1.0
  Mn  Mn5  1  0.665  0.331  0.985  1.0
  Mn  Mn6  1  0.830  0.662  0.711  1.0
  Mn  Mn7  1  0.830  0.165  0.711  1.0
  O  O8  1  0.164  0.831  0.599  1.0
  O  O9  1  0.038  0.518  0.341  1.0
  O  O10  1  0.332  0.665  0.100  1.0
  O  O11  1  0.999  0.998  0.319  1.0
  O  O12  1  0.998  0.997  0.819  1.0
  O  O13  1  0.164  0.330  0.599  1.0
  O  O14  1  0.479  0.958  0.341  1.0
  O  O15  1  0.479  0.518  0.341  1.0
  O  O16  1  0.331  0.164  0.099  1.0
  O  O17  1  0.665  0.831  0.599  1.0
  O  O18  1  0.518  0.478  0.841  1.0
  O  O19  1  0.518  0.037  0.841  1.0
  O  O20  1  0.664  0.331  0.600  1.0
  O  O21  1  0.832  0.665  0.099  1.0
  O  O22  1  0.958  0.478  0.841  1.0
  O  O23  1  0.832  0.164  0.099  1.0
[/CIF]
.
The crystal structure described by MnO2 is Rutile-like structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) 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 three equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.647
_cell_length_c   8.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.002
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   239.131
_cell_formula_units_Z   8
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  0.166  0.830  0.211  1.0
  Mn  Mn1  1  0.331  0.664  0.485  1.0
  Mn  Mn2  1  0.166  0.332  0.211  1.0
  Mn  Mn3  1  0.664  0.830  0.211  1.0
  Mn  Mn4  1  0.332  0.165  0.711  1.0
  Mn  Mn5  1  0.665  0.331  0.985  1.0
  Mn  Mn6  1  0.830  0.662  0.711  1.0
  Mn  Mn7  1  0.830  0.165  0.711  1.0
  O  O8  1  0.164  0.831  0.599  1.0
  O  O9  1  0.038  0.518  0.341  1.0
  O  O10  1  0.332  0.665  0.100  1.0
  O  O11  1  0.999  0.998  0.319  1.0
  O  O12  1  0.998  0.997  0.819  1.0
  O  O13  1  0.164  0.330  0.599  1.0
  O  O14  1  0.479  0.958  0.341  1.0
  O  O15  1  0.479  0.518  0.341  1.0
  O  O16  1  0.331  0.164  0.099  1.0
  O  O17  1  0.665  0.831  0.599  1.0
  O  O18  1  0.518  0.478  0.841  1.0
  O  O19  1  0.518  0.037  0.841  1.0
  O  O20  1  0.664  0.331  0.600  1.0
  O  O21  1  0.832  0.665  0.099  1.0
  O  O22  1  0.958  0.478  0.841  1.0
  O  O23  1  0.832  0.164  0.099  1.0
[/CIF]
.