The material structure described by MoO2OH crystallizes in the monoclinic C2 space group. Mo(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 6-28°. H(1) is bonded in a distorted single-bond geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.749
_cell_length_b   7.749
_cell_length_c   3.956
_cell_angle_alpha   88.749
_cell_angle_beta   88.749
_cell_angle_gamma   29.652
_symmetry_Int_Tables_number   1
_cell_volume   117.511
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.047  0.125  0.240  1.0
  Mo  Mo1  1  0.875  0.953  0.760  1.0
  H  H2  1  0.607  0.906  0.970  1.0
  H  H3  1  0.094  0.393  0.030  1.0
  O  O4  1  0.966  0.920  0.251  1.0
  O  O5  1  0.080  0.034  0.749  1.0
  O  O6  1  0.602  0.572  0.265  1.0
  O  O7  1  0.428  0.398  0.735  1.0
  O  O8  1  0.244  0.185  0.178  1.0
  O  O9  1  0.815  0.756  0.822  1.0
[/CIF]
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The material structure described by MoO2OH crystallizes in the monoclinic C2 space group. Mo(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 6-28°. H(1) is bonded in a distorted single-bond geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoHO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.749
_cell_length_b   7.749
_cell_length_c   3.956
_cell_angle_alpha   88.749
_cell_angle_beta   88.749
_cell_angle_gamma   29.652
_symmetry_Int_Tables_number   1
_cell_volume   117.511
_cell_formula_units_Z   2
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
  Mo  Mo0  1  0.047  0.125  0.240  1.0
  Mo  Mo1  1  0.875  0.953  0.760  1.0
  H  H2  1  0.607  0.906  0.970  1.0
  H  H3  1  0.094  0.393  0.030  1.0
  O  O4  1  0.966  0.920  0.251  1.0
  O  O5  1  0.080  0.034  0.749  1.0
  O  O6  1  0.602  0.572  0.265  1.0
  O  O7  1  0.428  0.398  0.735  1.0
  O  O8  1  0.244  0.185  0.178  1.0
  O  O9  1  0.815  0.756  0.822  1.0
[/CIF]
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