The material described by CuMoO4 crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Cu(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing CuO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.810
_cell_length_b   4.951
_cell_length_c   6.041
_cell_angle_alpha   86.975
_cell_angle_beta   79.770
_cell_angle_gamma   85.617
_symmetry_Int_Tables_number   1
_cell_volume   141.075
_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
  Cu  Cu0  1  0.490  0.746  0.155  1.0
  Cu  Cu1  1  0.510  0.254  0.845  1.0
  Mo  Mo2  1  0.971  0.257  0.329  1.0
  Mo  Mo3  1  0.029  0.743  0.671  1.0
  O  O4  1  0.726  0.904  0.880  1.0
  O  O5  1  0.789  0.428  0.623  1.0
  O  O6  1  0.754  0.434  0.149  1.0
  O  O7  1  0.246  0.566  0.851  1.0
  O  O8  1  0.218  0.043  0.586  1.0
  O  O9  1  0.782  0.957  0.414  1.0
  O  O10  1  0.211  0.572  0.377  1.0
  O  O11  1  0.274  0.096  0.120  1.0
[/CIF]
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The material described by CuMoO4 crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Cu(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted edge-sharing CuO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mo(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.810
_cell_length_b   4.951
_cell_length_c   6.041
_cell_angle_alpha   86.975
_cell_angle_beta   79.770
_cell_angle_gamma   85.617
_symmetry_Int_Tables_number   1
_cell_volume   141.075
_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
  Cu  Cu0  1  0.490  0.746  0.155  1.0
  Cu  Cu1  1  0.510  0.254  0.845  1.0
  Mo  Mo2  1  0.971  0.257  0.329  1.0
  Mo  Mo3  1  0.029  0.743  0.671  1.0
  O  O4  1  0.726  0.904  0.880  1.0
  O  O5  1  0.789  0.428  0.623  1.0
  O  O6  1  0.754  0.434  0.149  1.0
  O  O7  1  0.246  0.566  0.851  1.0
  O  O8  1  0.218  0.043  0.586  1.0
  O  O9  1  0.782  0.957  0.414  1.0
  O  O10  1  0.211  0.572  0.377  1.0
  O  O11  1  0.274  0.096  0.120  1.0
[/CIF]
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