The crystal structure described by MnOOH crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(2) atom. is represented by the CIF card [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.608
_cell_length_b   10.255
_cell_length_c   3.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.339
_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  0.536  0.639  0.250  1.0
  Mn  Mn1  1  0.964  0.139  0.250  1.0
  Mn  Mn2  1  0.469  0.351  0.750  1.0
  Mn  Mn3  1  0.031  0.851  0.750  1.0
  H  H4  1  0.914  0.401  0.250  1.0
  H  H5  1  0.586  0.901  0.250  1.0
  H  H6  1  0.094  0.571  0.750  1.0
  H  H7  1  0.406  0.071  0.750  1.0
  O  O8  1  0.232  0.296  0.250  1.0
  O  O9  1  0.268  0.796  0.250  1.0
  O  O10  1  0.771  0.697  0.750  1.0
  O  O11  1  0.729  0.197  0.750  1.0
  O  O12  1  0.712  0.437  0.250  1.0
  O  O13  1  0.788  0.937  0.250  1.0
  O  O14  1  0.301  0.547  0.750  1.0
  O  O15  1  0.199  0.047  0.750  1.0
[/CIF]
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The crystal structure described by MnOOH crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(2) atom. is represented by the CIF card [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.608
_cell_length_b   10.255
_cell_length_c   3.054
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.339
_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  0.536  0.639  0.250  1.0
  Mn  Mn1  1  0.964  0.139  0.250  1.0
  Mn  Mn2  1  0.469  0.351  0.750  1.0
  Mn  Mn3  1  0.031  0.851  0.750  1.0
  H  H4  1  0.914  0.401  0.250  1.0
  H  H5  1  0.586  0.901  0.250  1.0
  H  H6  1  0.094  0.571  0.750  1.0
  H  H7  1  0.406  0.071  0.750  1.0
  O  O8  1  0.232  0.296  0.250  1.0
  O  O9  1  0.268  0.796  0.250  1.0
  O  O10  1  0.771  0.697  0.750  1.0
  O  O11  1  0.729  0.197  0.750  1.0
  O  O12  1  0.712  0.437  0.250  1.0
  O  O13  1  0.788  0.937  0.250  1.0
  O  O14  1  0.301  0.547  0.750  1.0
  O  O15  1  0.199  0.047  0.750  1.0
[/CIF]
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