The material structure described by CuMoO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids and corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids and corners with three equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom. is represented by the CIF card [CIF]
data_CuMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.889
_cell_length_b   6.695
_cell_length_c   12.134
_cell_angle_alpha   89.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   722.122
_cell_formula_units_Z   8
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  0.840  0.216  0.879  1.0
  Cu  Cu1  1  0.955  0.627  0.614  1.0
  Cu  Cu2  1  0.045  0.373  0.386  1.0
  Cu  Cu3  1  0.160  0.784  0.121  1.0
  Cu  Cu4  1  0.660  0.216  0.379  1.0
  Cu  Cu5  1  0.545  0.627  0.114  1.0
  Cu  Cu6  1  0.340  0.784  0.621  1.0
  Cu  Cu7  1  0.455  0.373  0.886  1.0
  Mo  Mo8  1  0.550  0.895  0.857  1.0
  Mo  Mo9  1  0.950  0.895  0.357  1.0
  Mo  Mo10  1  0.902  0.404  0.141  1.0
  Mo  Mo11  1  0.050  0.105  0.643  1.0
  Mo  Mo12  1  0.098  0.596  0.859  1.0
  Mo  Mo13  1  0.402  0.596  0.359  1.0
  Mo  Mo14  1  0.598  0.404  0.641  1.0
  Mo  Mo15  1  0.450  0.105  0.143  1.0
  O  O16  1  0.755  0.959  0.376  1.0
  O  O17  1  0.002  0.350  0.585  1.0
  O  O18  1  0.378  0.793  0.456  1.0
  O  O19  1  0.878  0.207  0.044  1.0
  O  O20  1  0.745  0.959  0.876  1.0
  O  O21  1  0.245  0.041  0.624  1.0
  O  O22  1  0.926  0.910  0.591  1.0
  O  O23  1  0.088  0.514  0.126  1.0
  O  O24  1  0.412  0.514  0.626  1.0
  O  O25  1  0.126  0.685  0.715  1.0
  O  O26  1  0.626  0.315  0.785  1.0
  O  O27  1  0.912  0.486  0.874  1.0
  O  O28  1  0.074  0.090  0.409  1.0
  O  O29  1  0.485  0.126  0.286  1.0
  O  O30  1  0.739  0.584  0.612  1.0
  O  O31  1  0.761  0.584  0.112  1.0
  O  O32  1  0.985  0.874  0.214  1.0
  O  O33  1  0.588  0.486  0.374  1.0
  O  O34  1  0.515  0.874  0.714  1.0
  O  O35  1  0.622  0.207  0.544  1.0
  O  O36  1  0.498  0.350  0.085  1.0
  O  O37  1  0.874  0.315  0.285  1.0
  O  O38  1  0.255  0.041  0.124  1.0
  O  O39  1  0.574  0.910  0.091  1.0
  O  O40  1  0.122  0.793  0.956  1.0
  O  O41  1  0.239  0.416  0.888  1.0
  O  O42  1  0.998  0.650  0.415  1.0
  O  O43  1  0.502  0.650  0.915  1.0
  O  O44  1  0.426  0.090  0.909  1.0
  O  O45  1  0.261  0.416  0.388  1.0
  O  O46  1  0.374  0.685  0.215  1.0
  O  O47  1  0.015  0.126  0.786  1.0
[/CIF]
.
The material structure described by CuMoO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 trigonal bipyramids and corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids and corners with three equivalent Cu(1)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form CuO5 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  a cornercorner with one Cu(2)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  a cornercorner with one Cu(1)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(2) atom. is represented by the CIF card [CIF]
data_CuMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.889
_cell_length_b   6.695
_cell_length_c   12.134
_cell_angle_alpha   89.822
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   722.122
_cell_formula_units_Z   8
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  0.840  0.216  0.879  1.0
  Cu  Cu1  1  0.955  0.627  0.614  1.0
  Cu  Cu2  1  0.045  0.373  0.386  1.0
  Cu  Cu3  1  0.160  0.784  0.121  1.0
  Cu  Cu4  1  0.660  0.216  0.379  1.0
  Cu  Cu5  1  0.545  0.627  0.114  1.0
  Cu  Cu6  1  0.340  0.784  0.621  1.0
  Cu  Cu7  1  0.455  0.373  0.886  1.0
  Mo  Mo8  1  0.550  0.895  0.857  1.0
  Mo  Mo9  1  0.950  0.895  0.357  1.0
  Mo  Mo10  1  0.902  0.404  0.141  1.0
  Mo  Mo11  1  0.050  0.105  0.643  1.0
  Mo  Mo12  1  0.098  0.596  0.859  1.0
  Mo  Mo13  1  0.402  0.596  0.359  1.0
  Mo  Mo14  1  0.598  0.404  0.641  1.0
  Mo  Mo15  1  0.450  0.105  0.143  1.0
  O  O16  1  0.755  0.959  0.376  1.0
  O  O17  1  0.002  0.350  0.585  1.0
  O  O18  1  0.378  0.793  0.456  1.0
  O  O19  1  0.878  0.207  0.044  1.0
  O  O20  1  0.745  0.959  0.876  1.0
  O  O21  1  0.245  0.041  0.624  1.0
  O  O22  1  0.926  0.910  0.591  1.0
  O  O23  1  0.088  0.514  0.126  1.0
  O  O24  1  0.412  0.514  0.626  1.0
  O  O25  1  0.126  0.685  0.715  1.0
  O  O26  1  0.626  0.315  0.785  1.0
  O  O27  1  0.912  0.486  0.874  1.0
  O  O28  1  0.074  0.090  0.409  1.0
  O  O29  1  0.485  0.126  0.286  1.0
  O  O30  1  0.739  0.584  0.612  1.0
  O  O31  1  0.761  0.584  0.112  1.0
  O  O32  1  0.985  0.874  0.214  1.0
  O  O33  1  0.588  0.486  0.374  1.0
  O  O34  1  0.515  0.874  0.714  1.0
  O  O35  1  0.622  0.207  0.544  1.0
  O  O36  1  0.498  0.350  0.085  1.0
  O  O37  1  0.874  0.315  0.285  1.0
  O  O38  1  0.255  0.041  0.124  1.0
  O  O39  1  0.574  0.910  0.091  1.0
  O  O40  1  0.122  0.793  0.956  1.0
  O  O41  1  0.239  0.416  0.888  1.0
  O  O42  1  0.998  0.650  0.415  1.0
  O  O43  1  0.502  0.650  0.915  1.0
  O  O44  1  0.426  0.090  0.909  1.0
  O  O45  1  0.261  0.416  0.388  1.0
  O  O46  1  0.374  0.685  0.215  1.0
  O  O47  1  0.015  0.126  0.786  1.0
[/CIF]
.