The compound described by MnOOH crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form edge-sharing MnO6 octahedra. There are four 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(4), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   6.117
_cell_length_c   8.794
_cell_angle_alpha   89.323
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.624
_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  0.254  0.772  0.249  1.0
  Mn  Mn1  1  0.754  0.228  0.751  1.0
  Mn  Mn2  1  0.253  0.270  0.255  1.0
  Mn  Mn3  1  0.753  0.730  0.745  1.0
  Mn  Mn4  1  0.477  0.004  0.001  1.0
  Mn  Mn5  1  0.023  0.496  0.496  1.0
  Mn  Mn6  1  0.977  0.996  0.999  1.0
  Mn  Mn7  1  0.523  0.504  0.504  1.0
  H  H8  1  0.369  0.032  0.714  1.0
  H  H9  1  0.648  0.550  0.232  1.0
  H  H10  1  0.238  0.425  0.996  1.0
  H  H11  1  0.729  0.097  0.474  1.0
  H  H12  1  0.869  0.968  0.286  1.0
  H  H13  1  0.148  0.450  0.768  1.0
  H  H14  1  0.738  0.575  0.004  1.0
  H  H15  1  0.229  0.903  0.526  1.0
  O  O16  1  0.446  0.020  0.227  1.0
  O  O17  1  0.009  0.472  0.722  1.0
  O  O18  1  0.995  0.010  0.227  1.0
  O  O19  1  0.561  0.481  0.728  1.0
  O  O20  1  0.232  0.807  0.021  1.0
  O  O21  1  0.761  0.236  0.522  1.0
  O  O22  1  0.233  0.271  0.028  1.0
  O  O23  1  0.772  0.695  0.519  1.0
  O  O24  1  0.946  0.980  0.773  1.0
  O  O25  1  0.509  0.528  0.278  1.0
  O  O26  1  0.495  0.990  0.773  1.0
  O  O27  1  0.061  0.519  0.272  1.0
  O  O28  1  0.733  0.729  0.972  1.0
  O  O29  1  0.272  0.305  0.481  1.0
  O  O30  1  0.732  0.193  0.979  1.0
  O  O31  1  0.261  0.764  0.478  1.0
[/CIF]
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The compound described by MnOOH crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form edge-sharing MnO6 octahedra. There are four 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(4), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   6.117
_cell_length_c   8.794
_cell_angle_alpha   89.323
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.624
_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  0.254  0.772  0.249  1.0
  Mn  Mn1  1  0.754  0.228  0.751  1.0
  Mn  Mn2  1  0.253  0.270  0.255  1.0
  Mn  Mn3  1  0.753  0.730  0.745  1.0
  Mn  Mn4  1  0.477  0.004  0.001  1.0
  Mn  Mn5  1  0.023  0.496  0.496  1.0
  Mn  Mn6  1  0.977  0.996  0.999  1.0
  Mn  Mn7  1  0.523  0.504  0.504  1.0
  H  H8  1  0.369  0.032  0.714  1.0
  H  H9  1  0.648  0.550  0.232  1.0
  H  H10  1  0.238  0.425  0.996  1.0
  H  H11  1  0.729  0.097  0.474  1.0
  H  H12  1  0.869  0.968  0.286  1.0
  H  H13  1  0.148  0.450  0.768  1.0
  H  H14  1  0.738  0.575  0.004  1.0
  H  H15  1  0.229  0.903  0.526  1.0
  O  O16  1  0.446  0.020  0.227  1.0
  O  O17  1  0.009  0.472  0.722  1.0
  O  O18  1  0.995  0.010  0.227  1.0
  O  O19  1  0.561  0.481  0.728  1.0
  O  O20  1  0.232  0.807  0.021  1.0
  O  O21  1  0.761  0.236  0.522  1.0
  O  O22  1  0.233  0.271  0.028  1.0
  O  O23  1  0.772  0.695  0.519  1.0
  O  O24  1  0.946  0.980  0.773  1.0
  O  O25  1  0.509  0.528  0.278  1.0
  O  O26  1  0.495  0.990  0.773  1.0
  O  O27  1  0.061  0.519  0.272  1.0
  O  O28  1  0.733  0.729  0.972  1.0
  O  O29  1  0.272  0.305  0.481  1.0
  O  O30  1  0.732  0.193  0.979  1.0
  O  O31  1  0.261  0.764  0.478  1.0
[/CIF]
.