The material described by MnOOH crystallizes in the tetragonal I4/m 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 are 53°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.035
_cell_length_b   8.035
_cell_length_c   8.035
_cell_angle_alpha   91.942
_cell_angle_beta   91.942
_cell_angle_gamma   158.785
_symmetry_Int_Tables_number   1
_cell_volume   184.543
_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  0.645  0.849  0.494  1.0
  Mn  Mn1  1  0.151  0.645  0.796  1.0
  Mn  Mn2  1  0.849  0.355  0.204  1.0
  Mn  Mn3  1  0.355  0.151  0.506  1.0
  H  H4  1  0.171  0.921  0.092  1.0
  H  H5  1  0.829  0.079  0.908  1.0
  H  H6  1  0.079  0.171  0.250  1.0
  H  H7  1  0.921  0.829  0.750  1.0
  O  O8  1  0.828  0.544  0.372  1.0
  O  O9  1  0.456  0.828  0.285  1.0
  O  O10  1  0.544  0.172  0.715  1.0
  O  O11  1  0.172  0.456  0.628  1.0
  O  O12  1  0.151  0.222  0.372  1.0
  O  O13  1  0.778  0.151  0.929  1.0
  O  O14  1  0.849  0.778  0.628  1.0
  O  O15  1  0.222  0.849  0.071  1.0
[/CIF]
.
The material described by MnOOH crystallizes in the tetragonal I4/m 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 are 53°. H(1) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.035
_cell_length_b   8.035
_cell_length_c   8.035
_cell_angle_alpha   91.942
_cell_angle_beta   91.942
_cell_angle_gamma   158.785
_symmetry_Int_Tables_number   1
_cell_volume   184.543
_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  0.645  0.849  0.494  1.0
  Mn  Mn1  1  0.151  0.645  0.796  1.0
  Mn  Mn2  1  0.849  0.355  0.204  1.0
  Mn  Mn3  1  0.355  0.151  0.506  1.0
  H  H4  1  0.171  0.921  0.092  1.0
  H  H5  1  0.829  0.079  0.908  1.0
  H  H6  1  0.079  0.171  0.250  1.0
  H  H7  1  0.921  0.829  0.750  1.0
  O  O8  1  0.828  0.544  0.372  1.0
  O  O9  1  0.456  0.828  0.285  1.0
  O  O10  1  0.544  0.172  0.715  1.0
  O  O11  1  0.172  0.456  0.628  1.0
  O  O12  1  0.151  0.222  0.372  1.0
  O  O13  1  0.778  0.151  0.929  1.0
  O  O14  1  0.849  0.778  0.628  1.0
  O  O15  1  0.222  0.849  0.071  1.0
[/CIF]
.