The crystal structure described by CuMoO4 crystallizes in the triclinic P-1 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(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(2) and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Cu(2) atom. is represented by the CIF file [CIF]
data_CuMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   7.307
_cell_length_c   7.512
_cell_angle_alpha   73.916
_cell_angle_beta   73.049
_cell_angle_gamma   85.030
_symmetry_Int_Tables_number   1
_cell_volume   321.980
_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
  Cu  Cu0  1  0.186  0.688  0.160  1.0
  Cu  Cu1  1  0.814  0.312  0.840  1.0
  Cu  Cu2  1  0.808  0.701  0.497  1.0
  Cu  Cu3  1  0.192  0.299  0.503  1.0
  Mo  Mo4  1  0.783  0.725  0.004  1.0
  Mo  Mo5  1  0.217  0.275  0.996  1.0
  Mo  Mo6  1  0.216  0.731  0.639  1.0
  Mo  Mo7  1  0.784  0.269  0.361  1.0
  O  O8  1  0.144  0.651  0.923  1.0
  O  O9  1  0.856  0.349  0.077  1.0
  O  O10  1  0.498  0.669  0.578  1.0
  O  O11  1  0.502  0.331  0.422  1.0
  O  O12  1  0.861  0.638  0.247  1.0
  O  O13  1  0.139  0.362  0.753  1.0
  O  O14  1  0.499  0.675  0.086  1.0
  O  O15  1  0.501  0.325  0.914  1.0
  O  O16  1  0.131  0.690  0.428  1.0
  O  O17  1  0.869  0.310  0.572  1.0
  O  O18  1  0.786  0.024  0.405  1.0
  O  O19  1  0.214  0.976  0.595  1.0
  O  O20  1  0.799  0.969  0.957  1.0
  O  O21  1  0.201  0.031  0.043  1.0
  O  O22  1  0.859  0.691  0.748  1.0
  O  O23  1  0.141  0.309  0.252  1.0
[/CIF]
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The crystal structure described by CuMoO4 crystallizes in the triclinic P-1 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(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(2) and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Cu(2) atom. is represented by the CIF file [CIF]
data_CuMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   7.307
_cell_length_c   7.512
_cell_angle_alpha   73.916
_cell_angle_beta   73.049
_cell_angle_gamma   85.030
_symmetry_Int_Tables_number   1
_cell_volume   321.980
_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
  Cu  Cu0  1  0.186  0.688  0.160  1.0
  Cu  Cu1  1  0.814  0.312  0.840  1.0
  Cu  Cu2  1  0.808  0.701  0.497  1.0
  Cu  Cu3  1  0.192  0.299  0.503  1.0
  Mo  Mo4  1  0.783  0.725  0.004  1.0
  Mo  Mo5  1  0.217  0.275  0.996  1.0
  Mo  Mo6  1  0.216  0.731  0.639  1.0
  Mo  Mo7  1  0.784  0.269  0.361  1.0
  O  O8  1  0.144  0.651  0.923  1.0
  O  O9  1  0.856  0.349  0.077  1.0
  O  O10  1  0.498  0.669  0.578  1.0
  O  O11  1  0.502  0.331  0.422  1.0
  O  O12  1  0.861  0.638  0.247  1.0
  O  O13  1  0.139  0.362  0.753  1.0
  O  O14  1  0.499  0.675  0.086  1.0
  O  O15  1  0.501  0.325  0.914  1.0
  O  O16  1  0.131  0.690  0.428  1.0
  O  O17  1  0.869  0.310  0.572  1.0
  O  O18  1  0.786  0.024  0.405  1.0
  O  O19  1  0.214  0.976  0.595  1.0
  O  O20  1  0.799  0.969  0.957  1.0
  O  O21  1  0.201  0.031  0.043  1.0
  O  O22  1  0.859  0.691  0.748  1.0
  O  O23  1  0.141  0.309  0.252  1.0
[/CIF]
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