The compound described by Mo4O5 crystallizes in the tetragonal I4_1md space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(5) atoms. In the second Mo site, Mo(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(5) atoms. In the third Mo site, Mo(3) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MoO5 square pyramids. In the fourth Mo site, Mo(4) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing MoO5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(3), and two equivalent Mo(4) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(4) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mo(2), one Mo(4), and two equivalent Mo(3) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Mo4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.453
_cell_length_b   13.453
_cell_length_c   13.453
_cell_angle_alpha   153.438
_cell_angle_beta   153.438
_cell_angle_gamma   37.918
_symmetry_Int_Tables_number   1
_cell_volume   486.095
_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
  Mo  Mo0  1  0.499  0.754  0.745  1.0
  Mo  Mo1  1  0.999  0.240  0.240  1.0
  Mo  Mo2  1  0.504  0.749  0.245  1.0
  Mo  Mo3  1  0.504  0.259  0.755  1.0
  Mo  Mo4  1  0.990  0.249  0.740  1.0
  Mo  Mo5  1  0.009  0.754  0.255  1.0
  Mo  Mo6  1  0.509  0.249  0.260  1.0
  Mo  Mo7  1  0.999  0.759  0.760  1.0
  Mo  Mo8  1  0.653  0.923  0.730  1.0
  Mo  Mo9  1  0.673  0.443  0.770  1.0
  Mo  Mo10  1  0.673  0.903  0.230  1.0
  Mo  Mo11  1  0.193  0.923  0.270  1.0
  Mo  Mo12  1  0.830  0.081  0.251  1.0
  Mo  Mo13  1  0.831  0.080  0.751  1.0
  Mo  Mo14  1  0.830  0.578  0.749  1.0
  Mo  Mo15  1  0.328  0.080  0.249  1.0
  O  O16  1  0.602  0.839  0.763  1.0
  O  O17  1  0.589  0.852  0.263  1.0
  O  O18  1  0.078  0.305  0.227  1.0
  O  O19  1  0.915  0.134  0.219  1.0
  O  O20  1  0.589  0.327  0.737  1.0
  O  O21  1  0.433  0.672  0.761  1.0
  O  O22  1  0.884  0.165  0.719  1.0
  O  O23  1  0.055  0.328  0.727  1.0
  O  O24  1  0.077  0.839  0.237  1.0
  O  O25  1  0.244  0.501  0.743  1.0
  O  O26  1  0.757  0.501  0.257  1.0
  O  O27  1  0.601  0.328  0.273  1.0
  O  O28  1  0.910  0.672  0.239  1.0
  O  O29  1  0.915  0.696  0.781  1.0
  O  O30  1  0.078  0.851  0.773  1.0
  O  O31  1  0.422  0.160  0.739  1.0
  O  O32  1  0.422  0.683  0.261  1.0
  O  O33  1  0.251  0.007  0.757  1.0
  O  O34  1  0.251  0.494  0.243  1.0
  O  O35  1  0.446  0.165  0.281  1.0
[/CIF]
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The compound described by Mo4O5 crystallizes in the tetragonal I4_1md space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(5) atoms. In the second Mo site, Mo(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(5) atoms. In the third Mo site, Mo(3) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing MoO5 square pyramids. In the fourth Mo site, Mo(4) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form edge-sharing MoO5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Mo(3), and two equivalent Mo(4) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(2) and two equivalent Mo(4) atoms. In the third O site, O(3) is bonded in a see-saw-like geometry to one Mo(2), one Mo(4), and two equivalent Mo(3) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. is represented by the CIF card [CIF]
data_Mo4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.453
_cell_length_b   13.453
_cell_length_c   13.453
_cell_angle_alpha   153.438
_cell_angle_beta   153.438
_cell_angle_gamma   37.918
_symmetry_Int_Tables_number   1
_cell_volume   486.095
_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
  Mo  Mo0  1  0.499  0.754  0.745  1.0
  Mo  Mo1  1  0.999  0.240  0.240  1.0
  Mo  Mo2  1  0.504  0.749  0.245  1.0
  Mo  Mo3  1  0.504  0.259  0.755  1.0
  Mo  Mo4  1  0.990  0.249  0.740  1.0
  Mo  Mo5  1  0.009  0.754  0.255  1.0
  Mo  Mo6  1  0.509  0.249  0.260  1.0
  Mo  Mo7  1  0.999  0.759  0.760  1.0
  Mo  Mo8  1  0.653  0.923  0.730  1.0
  Mo  Mo9  1  0.673  0.443  0.770  1.0
  Mo  Mo10  1  0.673  0.903  0.230  1.0
  Mo  Mo11  1  0.193  0.923  0.270  1.0
  Mo  Mo12  1  0.830  0.081  0.251  1.0
  Mo  Mo13  1  0.831  0.080  0.751  1.0
  Mo  Mo14  1  0.830  0.578  0.749  1.0
  Mo  Mo15  1  0.328  0.080  0.249  1.0
  O  O16  1  0.602  0.839  0.763  1.0
  O  O17  1  0.589  0.852  0.263  1.0
  O  O18  1  0.078  0.305  0.227  1.0
  O  O19  1  0.915  0.134  0.219  1.0
  O  O20  1  0.589  0.327  0.737  1.0
  O  O21  1  0.433  0.672  0.761  1.0
  O  O22  1  0.884  0.165  0.719  1.0
  O  O23  1  0.055  0.328  0.727  1.0
  O  O24  1  0.077  0.839  0.237  1.0
  O  O25  1  0.244  0.501  0.743  1.0
  O  O26  1  0.757  0.501  0.257  1.0
  O  O27  1  0.601  0.328  0.273  1.0
  O  O28  1  0.910  0.672  0.239  1.0
  O  O29  1  0.915  0.696  0.781  1.0
  O  O30  1  0.078  0.851  0.773  1.0
  O  O31  1  0.422  0.160  0.739  1.0
  O  O32  1  0.422  0.683  0.261  1.0
  O  O33  1  0.251  0.007  0.757  1.0
  O  O34  1  0.251  0.494  0.243  1.0
  O  O35  1  0.446  0.165  0.281  1.0
[/CIF]
.