The material described by MnOOH crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. H(1) is bonded in a 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 in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Mn(1) and one H(1) atom to form a mixture of distorted edge and corner-sharing OMn3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.230
_cell_length_b   5.303
_cell_length_c   5.313
_cell_angle_alpha   66.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.043
_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  0.513  0.263  0.748  1.0
  Mn  Mn1  1  0.013  0.737  0.752  1.0
  Mn  Mn2  1  0.487  0.737  0.252  1.0
  Mn  Mn3  1  0.987  0.263  0.248  1.0
  H  H4  1  0.524  0.780  0.768  1.0
  H  H5  1  0.024  0.220  0.732  1.0
  H  H6  1  0.476  0.220  0.232  1.0
  H  H7  1  0.976  0.780  0.268  1.0
  O  O8  1  0.375  0.126  0.130  1.0
  O  O9  1  0.875  0.874  0.370  1.0
  O  O10  1  0.125  0.126  0.630  1.0
  O  O11  1  0.625  0.874  0.870  1.0
  O  O12  1  0.630  0.375  0.380  1.0
  O  O13  1  0.370  0.625  0.620  1.0
  O  O14  1  0.130  0.625  0.120  1.0
  O  O15  1  0.870  0.375  0.880  1.0
[/CIF]
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The material described by MnOOH crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. H(1) is bonded in a 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 in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the second O site, O(2) is bonded to three equivalent Mn(1) and one H(1) atom to form a mixture of distorted edge and corner-sharing OMn3H tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.230
_cell_length_b   5.303
_cell_length_c   5.313
_cell_angle_alpha   66.403
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   135.043
_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  0.513  0.263  0.748  1.0
  Mn  Mn1  1  0.013  0.737  0.752  1.0
  Mn  Mn2  1  0.487  0.737  0.252  1.0
  Mn  Mn3  1  0.987  0.263  0.248  1.0
  H  H4  1  0.524  0.780  0.768  1.0
  H  H5  1  0.024  0.220  0.732  1.0
  H  H6  1  0.476  0.220  0.232  1.0
  H  H7  1  0.976  0.780  0.268  1.0
  O  O8  1  0.375  0.126  0.130  1.0
  O  O9  1  0.875  0.874  0.370  1.0
  O  O10  1  0.125  0.126  0.630  1.0
  O  O11  1  0.625  0.874  0.870  1.0
  O  O12  1  0.630  0.375  0.380  1.0
  O  O13  1  0.370  0.625  0.620  1.0
  O  O14  1  0.130  0.625  0.120  1.0
  O  O15  1  0.870  0.375  0.880  1.0
[/CIF]
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