The crystal structure described by MnOOH crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 57°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(1) and one H(1) atom to form distorted corner-sharing OMn3H tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.895
_cell_length_b   4.557
_cell_length_c   10.623
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.158
_cell_formula_units_Z   4
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  0.250  0.944  0.140  1.0
  Mn  Mn1  1  0.750  0.056  0.860  1.0
  Mn  Mn2  1  0.250  0.556  0.640  1.0
  Mn  Mn3  1  0.750  0.444  0.360  1.0
  H  H4  1  0.250  0.898  0.394  1.0
  H  H5  1  0.250  0.602  0.894  1.0
  H  H6  1  0.750  0.102  0.606  1.0
  H  H7  1  0.750  0.398  0.106  1.0
  O  O8  1  0.250  0.196  0.312  1.0
  O  O9  1  0.250  0.304  0.812  1.0
  O  O10  1  0.750  0.804  0.688  1.0
  O  O11  1  0.750  0.696  0.188  1.0
  O  O12  1  0.250  0.693  0.430  1.0
  O  O13  1  0.250  0.807  0.930  1.0
  O  O14  1  0.750  0.307  0.570  1.0
  O  O15  1  0.750  0.193  0.070  1.0
[/CIF]
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The crystal structure described by MnOOH crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 57°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(1) and one H(1) atom to form distorted corner-sharing OMn3H tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.895
_cell_length_b   4.557
_cell_length_c   10.623
_cell_angle_alpha   89.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.158
_cell_formula_units_Z   4
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  0.250  0.944  0.140  1.0
  Mn  Mn1  1  0.750  0.056  0.860  1.0
  Mn  Mn2  1  0.250  0.556  0.640  1.0
  Mn  Mn3  1  0.750  0.444  0.360  1.0
  H  H4  1  0.250  0.898  0.394  1.0
  H  H5  1  0.250  0.602  0.894  1.0
  H  H6  1  0.750  0.102  0.606  1.0
  H  H7  1  0.750  0.398  0.106  1.0
  O  O8  1  0.250  0.196  0.312  1.0
  O  O9  1  0.250  0.304  0.812  1.0
  O  O10  1  0.750  0.804  0.688  1.0
  O  O11  1  0.750  0.696  0.188  1.0
  O  O12  1  0.250  0.693  0.430  1.0
  O  O13  1  0.250  0.807  0.930  1.0
  O  O14  1  0.750  0.307  0.570  1.0
  O  O15  1  0.750  0.193  0.070  1.0
[/CIF]
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