The crystal structure described by MoH4O5 crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(7) atom. In the second H site, H(2) is bonded in a linear geometry to one O(4) and one O(6) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two 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 square co-planar geometry to two equivalent H(1) and two equivalent H(3) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent H(2) and two equivalent H(4) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mo(1), one H(1), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoH4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.135
_cell_length_b   6.780
_cell_length_c   7.566
_cell_angle_alpha   90.699
_cell_angle_beta   90.454
_cell_angle_gamma   106.723
_symmetry_Int_Tables_number   1
_cell_volume   203.127
_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  0.920  0.002  0.750  1.0
  Mo  Mo1  1  0.080  0.998  0.250  1.0
  H  H2  1  0.658  0.586  0.097  1.0
  H  H3  1  0.342  0.414  0.903  1.0
  H  H4  1  0.338  0.414  0.403  1.0
  H  H5  1  0.662  0.586  0.597  1.0
  H  H6  1  0.740  0.624  0.850  1.0
  H  H7  1  0.273  0.373  0.647  1.0
  H  H8  1  0.260  0.376  0.150  1.0
  H  H9  1  0.727  0.627  0.353  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.502  0.003  0.751  1.0
  O  O15  1  0.498  0.997  0.249  1.0
  O  O16  1  0.857  0.705  0.743  1.0
  O  O17  1  0.148  0.296  0.755  1.0
  O  O18  1  0.143  0.295  0.257  1.0
  O  O19  1  0.852  0.704  0.245  1.0
[/CIF]
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The crystal structure described by MoH4O5 crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(7) atom. In the second H site, H(2) is bonded in a linear geometry to one O(4) and one O(6) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two 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 square co-planar geometry to two equivalent H(1) and two equivalent H(3) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent H(2) and two equivalent H(4) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mo(1), one H(1), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoH4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.135
_cell_length_b   6.780
_cell_length_c   7.566
_cell_angle_alpha   90.699
_cell_angle_beta   90.454
_cell_angle_gamma   106.723
_symmetry_Int_Tables_number   1
_cell_volume   203.127
_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  0.920  0.002  0.750  1.0
  Mo  Mo1  1  0.080  0.998  0.250  1.0
  H  H2  1  0.658  0.586  0.097  1.0
  H  H3  1  0.342  0.414  0.903  1.0
  H  H4  1  0.338  0.414  0.403  1.0
  H  H5  1  0.662  0.586  0.597  1.0
  H  H6  1  0.740  0.624  0.850  1.0
  H  H7  1  0.273  0.373  0.647  1.0
  H  H8  1  0.260  0.376  0.150  1.0
  H  H9  1  0.727  0.627  0.353  1.0
  O  O10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.500  0.500  0.000  1.0
  O  O13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.502  0.003  0.751  1.0
  O  O15  1  0.498  0.997  0.249  1.0
  O  O16  1  0.857  0.705  0.743  1.0
  O  O17  1  0.148  0.296  0.755  1.0
  O  O18  1  0.143  0.295  0.257  1.0
  O  O19  1  0.852  0.704  0.245  1.0
[/CIF]
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