The material described by (MoO3)3H2O crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a MoO3 framework. In the MoO3 framework, there are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), one O(8), and three equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded to one O(5), one O(8), one O(9), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(9), and three equivalent O(3) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(3) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. is represented by the CIF file [CIF]
data_Mo3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   10.683
_cell_length_c   10.801
_cell_angle_alpha   119.631
_cell_angle_beta   90.972
_cell_angle_gamma   90.040
_symmetry_Int_Tables_number   1
_cell_volume   390.800
_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  0.249  0.106  0.462  1.0
  Mo  Mo1  1  0.253  0.534  0.641  1.0
  Mo  Mo2  1  0.247  0.358  0.894  1.0
  Mo  Mo3  1  0.751  0.894  0.538  1.0
  Mo  Mo4  1  0.747  0.466  0.359  1.0
  Mo  Mo5  1  0.753  0.642  0.106  1.0
  H  H6  1  0.290  0.092  0.078  1.0
  H  H7  1  0.210  0.007  0.917  1.0
  H  H8  1  0.790  0.993  0.083  1.0
  H  H9  1  0.710  0.908  0.922  1.0
  O  O10  1  0.251  0.924  0.503  1.0
  O  O11  1  0.247  0.497  0.419  1.0
  O  O12  1  0.252  0.581  0.077  1.0
  O  O13  1  0.749  0.076  0.497  1.0
  O  O14  1  0.753  0.503  0.581  1.0
  O  O15  1  0.748  0.419  0.923  1.0
  O  O16  1  0.237  0.012  0.279  1.0
  O  O17  1  0.263  0.719  0.728  1.0
  O  O18  1  0.251  0.268  0.989  1.0
  O  O19  1  0.763  0.988  0.721  1.0
  O  O20  1  0.737  0.281  0.272  1.0
  O  O21  1  0.749  0.732  0.011  1.0
  O  O22  1  0.247  0.217  0.717  1.0
  O  O23  1  0.251  0.290  0.506  1.0
  O  O24  1  0.252  0.499  0.785  1.0
  O  O25  1  0.753  0.783  0.283  1.0
  O  O26  1  0.749  0.710  0.494  1.0
  O  O27  1  0.748  0.501  0.215  1.0
  O  O28  1  0.250  0.993  1.000  1.0
  O  O29  1  0.750  0.007  0.000  1.0
[/CIF]
.
The material described by (MoO3)3H2O crystallizes in the triclinic P-1 space group. The structure consists of two water molecules inside a MoO3 framework. In the MoO3 framework, there are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(7), one O(8), and three equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded to one O(5), one O(8), one O(9), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 32°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(9), and three equivalent O(3) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(3) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. is represented by the CIF file [CIF]
data_Mo3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   10.683
_cell_length_c   10.801
_cell_angle_alpha   119.631
_cell_angle_beta   90.972
_cell_angle_gamma   90.040
_symmetry_Int_Tables_number   1
_cell_volume   390.800
_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  0.249  0.106  0.462  1.0
  Mo  Mo1  1  0.253  0.534  0.641  1.0
  Mo  Mo2  1  0.247  0.358  0.894  1.0
  Mo  Mo3  1  0.751  0.894  0.538  1.0
  Mo  Mo4  1  0.747  0.466  0.359  1.0
  Mo  Mo5  1  0.753  0.642  0.106  1.0
  H  H6  1  0.290  0.092  0.078  1.0
  H  H7  1  0.210  0.007  0.917  1.0
  H  H8  1  0.790  0.993  0.083  1.0
  H  H9  1  0.710  0.908  0.922  1.0
  O  O10  1  0.251  0.924  0.503  1.0
  O  O11  1  0.247  0.497  0.419  1.0
  O  O12  1  0.252  0.581  0.077  1.0
  O  O13  1  0.749  0.076  0.497  1.0
  O  O14  1  0.753  0.503  0.581  1.0
  O  O15  1  0.748  0.419  0.923  1.0
  O  O16  1  0.237  0.012  0.279  1.0
  O  O17  1  0.263  0.719  0.728  1.0
  O  O18  1  0.251  0.268  0.989  1.0
  O  O19  1  0.763  0.988  0.721  1.0
  O  O20  1  0.737  0.281  0.272  1.0
  O  O21  1  0.749  0.732  0.011  1.0
  O  O22  1  0.247  0.217  0.717  1.0
  O  O23  1  0.251  0.290  0.506  1.0
  O  O24  1  0.252  0.499  0.785  1.0
  O  O25  1  0.753  0.783  0.283  1.0
  O  O26  1  0.749  0.710  0.494  1.0
  O  O27  1  0.748  0.501  0.215  1.0
  O  O28  1  0.250  0.993  1.000  1.0
  O  O29  1  0.750  0.007  0.000  1.0
[/CIF]
.