The compound described by MoV2O8 crystallizes in the monoclinic C2/m space group. V(1) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(3), and three equivalent O(5) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra are not tilted. There are five 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 linear geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2MoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.940
_cell_length_b   9.940
_cell_length_c   3.909
_cell_angle_alpha   89.867
_cell_angle_beta   89.867
_cell_angle_gamma   21.898
_symmetry_Int_Tables_number   1
_cell_volume   144.071
_cell_formula_units_Z   1
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
  V  V0  1  0.190  0.190  0.412  1.0
  V  V1  1  0.810  0.810  0.588  1.0
  Mo  Mo2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.189  0.189  0.994  1.0
  O  O6  1  0.811  0.811  0.006  1.0
  O  O7  1  0.099  0.099  0.495  1.0
  O  O8  1  0.901  0.901  0.505  1.0
  O  O9  1  0.291  0.291  0.508  1.0
  O  O10  1  0.709  0.709  0.492  1.0
[/CIF]
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The compound described by MoV2O8 crystallizes in the monoclinic C2/m space group. V(1) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(3), and three equivalent O(5) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra are not tilted. There are five 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 linear geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. is represented by the CIF file [CIF]
data_V2MoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.940
_cell_length_b   9.940
_cell_length_c   3.909
_cell_angle_alpha   89.867
_cell_angle_beta   89.867
_cell_angle_gamma   21.898
_symmetry_Int_Tables_number   1
_cell_volume   144.071
_cell_formula_units_Z   1
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
  V  V0  1  0.190  0.190  0.412  1.0
  V  V1  1  0.810  0.810  0.588  1.0
  Mo  Mo2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.189  0.189  0.994  1.0
  O  O6  1  0.811  0.811  0.006  1.0
  O  O7  1  0.099  0.099  0.495  1.0
  O  O8  1  0.901  0.901  0.505  1.0
  O  O9  1  0.291  0.291  0.508  1.0
  O  O10  1  0.709  0.709  0.492  1.0
[/CIF]
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