The material described by CoMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Co(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mo(1), one Mo(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Mo(2) and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mo(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_CoMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.520
_cell_length_b   6.520
_cell_length_c   7.648
_cell_angle_alpha   72.716
_cell_angle_beta   72.716
_cell_angle_gamma   85.478
_symmetry_Int_Tables_number   1
_cell_volume   296.423
_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
  Co  Co0  1  0.309  0.309  0.841  1.0
  Co  Co1  1  0.691  0.691  0.159  1.0
  Co  Co2  1  0.689  0.311  0.500  1.0
  Co  Co3  1  0.311  0.689  0.500  1.0
  Mo  Mo4  1  0.719  0.719  0.640  1.0
  Mo  Mo5  1  0.281  0.281  0.360  1.0
  Mo  Mo6  1  0.282  0.718  0.000  1.0
  Mo  Mo7  1  0.718  0.282  0.000  1.0
  O  O8  1  0.685  0.994  0.579  1.0
  O  O9  1  0.649  0.346  0.238  1.0
  O  O10  1  0.993  0.319  0.924  1.0
  O  O11  1  0.653  0.653  0.914  1.0
  O  O12  1  0.346  0.649  0.238  1.0
  O  O13  1  0.350  0.350  0.560  1.0
  O  O14  1  0.994  0.685  0.579  1.0
  O  O15  1  0.351  0.654  0.762  1.0
  O  O16  1  0.319  0.993  0.924  1.0
  O  O17  1  0.650  0.650  0.440  1.0
  O  O18  1  0.654  0.351  0.762  1.0
  O  O19  1  0.347  0.347  0.086  1.0
  O  O20  1  0.315  0.006  0.421  1.0
  O  O21  1  0.681  0.007  0.076  1.0
  O  O22  1  0.006  0.315  0.421  1.0
  O  O23  1  0.007  0.681  0.076  1.0
[/CIF]
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The material described by CoMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Co(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mo(1), one Mo(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Mo(2) and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Mo(1), one Co(1), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_CoMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.520
_cell_length_b   6.520
_cell_length_c   7.648
_cell_angle_alpha   72.716
_cell_angle_beta   72.716
_cell_angle_gamma   85.478
_symmetry_Int_Tables_number   1
_cell_volume   296.423
_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
  Co  Co0  1  0.309  0.309  0.841  1.0
  Co  Co1  1  0.691  0.691  0.159  1.0
  Co  Co2  1  0.689  0.311  0.500  1.0
  Co  Co3  1  0.311  0.689  0.500  1.0
  Mo  Mo4  1  0.719  0.719  0.640  1.0
  Mo  Mo5  1  0.281  0.281  0.360  1.0
  Mo  Mo6  1  0.282  0.718  0.000  1.0
  Mo  Mo7  1  0.718  0.282  0.000  1.0
  O  O8  1  0.685  0.994  0.579  1.0
  O  O9  1  0.649  0.346  0.238  1.0
  O  O10  1  0.993  0.319  0.924  1.0
  O  O11  1  0.653  0.653  0.914  1.0
  O  O12  1  0.346  0.649  0.238  1.0
  O  O13  1  0.350  0.350  0.560  1.0
  O  O14  1  0.994  0.685  0.579  1.0
  O  O15  1  0.351  0.654  0.762  1.0
  O  O16  1  0.319  0.993  0.924  1.0
  O  O17  1  0.650  0.650  0.440  1.0
  O  O18  1  0.654  0.351  0.762  1.0
  O  O19  1  0.347  0.347  0.086  1.0
  O  O20  1  0.315  0.006  0.421  1.0
  O  O21  1  0.681  0.007  0.076  1.0
  O  O22  1  0.006  0.315  0.421  1.0
  O  O23  1  0.007  0.681  0.076  1.0
[/CIF]
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