The structure described by Co2Mo3O8 crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Co(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4) and three equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Co(1)O4 tetrahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Co(2) atom. In the second O site, O(2) is bonded to two equivalent Mo(1), one Co(1), and one Co(2) atom to form OCo2Mo2 tetrahedra that share  a cornercorner with one O(4)CoMo3 tetrahedra, corners with two equivalent O(2)Co2Mo2 tetrahedra,  an edgeedge with one O(4)CoMo3 tetrahedra, and edges with two equivalent O(2)Co2Mo2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Co(1) atom to form a mixture of distorted edge and corner-sharing OCoMo3 tetrahedra. is represented by the CIF card [CIF]
data_Co2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   5.871
_cell_length_c   10.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.169
_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
  Co  Co0  1  0.333  0.667  0.947  1.0
  Co  Co1  1  0.667  0.333  0.447  1.0
  Co  Co2  1  0.333  0.667  0.516  1.0
  Co  Co3  1  0.667  0.333  0.016  1.0
  Mo  Mo4  1  0.146  0.854  0.249  1.0
  Mo  Mo5  1  0.292  0.146  0.749  1.0
  Mo  Mo6  1  0.854  0.708  0.749  1.0
  Mo  Mo7  1  0.146  0.292  0.249  1.0
  Mo  Mo8  1  0.708  0.854  0.249  1.0
  Mo  Mo9  1  0.854  0.146  0.749  1.0
  O  O10  1  0.832  0.168  0.132  1.0
  O  O11  1  0.664  0.832  0.632  1.0
  O  O12  1  0.168  0.336  0.632  1.0
  O  O13  1  0.832  0.664  0.132  1.0
  O  O14  1  0.336  0.168  0.132  1.0
  O  O15  1  0.168  0.832  0.632  1.0
  O  O16  1  0.512  0.488  0.865  1.0
  O  O17  1  0.024  0.512  0.365  1.0
  O  O18  1  0.488  0.976  0.365  1.0
  O  O19  1  0.512  0.024  0.865  1.0
  O  O20  1  0.000  0.000  0.392  1.0
  O  O21  1  0.000  0.000  0.892  1.0
  O  O22  1  0.333  0.667  0.144  1.0
  O  O23  1  0.976  0.488  0.865  1.0
  O  O24  1  0.488  0.512  0.365  1.0
  O  O25  1  0.667  0.333  0.644  1.0
[/CIF]
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The structure described by Co2Mo3O8 crystallizes in the hexagonal P6_3mc space group. Mo(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted MoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Co(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4) and three equivalent O(2) atoms to form CoO4 tetrahedra that share corners with three equivalent Co(2)O6 octahedra and corners with nine equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, corners with three equivalent Co(1)O4 tetrahedra, and edges with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Co(2) atom. In the second O site, O(2) is bonded to two equivalent Mo(1), one Co(1), and one Co(2) atom to form OCo2Mo2 tetrahedra that share  a cornercorner with one O(4)CoMo3 tetrahedra, corners with two equivalent O(2)Co2Mo2 tetrahedra,  an edgeedge with one O(4)CoMo3 tetrahedra, and edges with two equivalent O(2)Co2Mo2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mo(1) and one Co(1) atom to form a mixture of distorted edge and corner-sharing OCoMo3 tetrahedra. is represented by the CIF card [CIF]
data_Co2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   5.871
_cell_length_c   10.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   299.169
_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
  Co  Co0  1  0.333  0.667  0.947  1.0
  Co  Co1  1  0.667  0.333  0.447  1.0
  Co  Co2  1  0.333  0.667  0.516  1.0
  Co  Co3  1  0.667  0.333  0.016  1.0
  Mo  Mo4  1  0.146  0.854  0.249  1.0
  Mo  Mo5  1  0.292  0.146  0.749  1.0
  Mo  Mo6  1  0.854  0.708  0.749  1.0
  Mo  Mo7  1  0.146  0.292  0.249  1.0
  Mo  Mo8  1  0.708  0.854  0.249  1.0
  Mo  Mo9  1  0.854  0.146  0.749  1.0
  O  O10  1  0.832  0.168  0.132  1.0
  O  O11  1  0.664  0.832  0.632  1.0
  O  O12  1  0.168  0.336  0.632  1.0
  O  O13  1  0.832  0.664  0.132  1.0
  O  O14  1  0.336  0.168  0.132  1.0
  O  O15  1  0.168  0.832  0.632  1.0
  O  O16  1  0.512  0.488  0.865  1.0
  O  O17  1  0.024  0.512  0.365  1.0
  O  O18  1  0.488  0.976  0.365  1.0
  O  O19  1  0.512  0.024  0.865  1.0
  O  O20  1  0.000  0.000  0.392  1.0
  O  O21  1  0.000  0.000  0.892  1.0
  O  O22  1  0.333  0.667  0.144  1.0
  O  O23  1  0.976  0.488  0.865  1.0
  O  O24  1  0.488  0.512  0.365  1.0
  O  O25  1  0.667  0.333  0.644  1.0
[/CIF]
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