The structure described by Cu3Mo2O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and  a cornercorner with one Cu(2)O5 trigonal bipyramid. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(9) atom to form distorted CuO5 square pyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(3), one O(4), one O(7), and two equivalent O(1) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Cu(1)O5 square pyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form edge-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1), one Cu(1), and one Cu(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mo(2), one Cu(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Cu3Mo2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.430
_cell_length_b   7.796
_cell_length_c   8.082
_cell_angle_alpha   66.346
_cell_angle_beta   88.958
_cell_angle_gamma   66.173
_symmetry_Int_Tables_number   1
_cell_volume   386.445
_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  0.128  0.293  0.911  1.0
  Cu  Cu1  1  0.872  0.707  0.089  1.0
  Cu  Cu2  1  0.081  0.648  0.473  1.0
  Cu  Cu3  1  0.919  0.352  0.527  1.0
  Cu  Cu4  1  0.708  0.610  0.736  1.0
  Cu  Cu5  1  0.292  0.390  0.264  1.0
  Mo  Mo6  1  0.206  0.783  0.815  1.0
  Mo  Mo7  1  0.794  0.217  0.185  1.0
  Mo  Mo8  1  0.565  0.166  0.709  1.0
  Mo  Mo9  1  0.435  0.834  0.291  1.0
  O  O10  1  0.969  0.490  0.665  1.0
  O  O11  1  0.031  0.510  0.335  1.0
  O  O12  1  0.135  0.610  0.019  1.0
  O  O13  1  0.865  0.390  0.981  1.0
  O  O14  1  0.112  0.039  0.797  1.0
  O  O15  1  0.888  0.961  0.203  1.0
  O  O16  1  0.117  0.790  0.607  1.0
  O  O17  1  0.883  0.210  0.393  1.0
  O  O18  1  0.436  0.197  0.507  1.0
  O  O19  1  0.564  0.803  0.493  1.0
  O  O20  1  0.383  0.252  0.841  1.0
  O  O21  1  0.617  0.748  0.159  1.0
  O  O22  1  0.692  0.331  0.656  1.0
  O  O23  1  0.308  0.669  0.344  1.0
  O  O24  1  0.470  0.686  0.840  1.0
  O  O25  1  0.530  0.314  0.160  1.0
  O  O26  1  0.747  0.896  0.832  1.0
  O  O27  1  0.253  0.104  0.168  1.0
[/CIF]
.
The structure described by Cu3Mo2O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and  a cornercorner with one Cu(2)O5 trigonal bipyramid. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(9) atom to form distorted CuO5 square pyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  a cornercorner with one Cu(2)O5 trigonal bipyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(3), one O(4), one O(7), and two equivalent O(1) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Cu(1)O5 square pyramid, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), one O(7), and one O(8) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form edge-sharing OCu4 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1), one Cu(1), and one Cu(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mo(2), one Cu(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. is represented by the CIF file [CIF]
data_Cu3Mo2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.430
_cell_length_b   7.796
_cell_length_c   8.082
_cell_angle_alpha   66.346
_cell_angle_beta   88.958
_cell_angle_gamma   66.173
_symmetry_Int_Tables_number   1
_cell_volume   386.445
_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  0.128  0.293  0.911  1.0
  Cu  Cu1  1  0.872  0.707  0.089  1.0
  Cu  Cu2  1  0.081  0.648  0.473  1.0
  Cu  Cu3  1  0.919  0.352  0.527  1.0
  Cu  Cu4  1  0.708  0.610  0.736  1.0
  Cu  Cu5  1  0.292  0.390  0.264  1.0
  Mo  Mo6  1  0.206  0.783  0.815  1.0
  Mo  Mo7  1  0.794  0.217  0.185  1.0
  Mo  Mo8  1  0.565  0.166  0.709  1.0
  Mo  Mo9  1  0.435  0.834  0.291  1.0
  O  O10  1  0.969  0.490  0.665  1.0
  O  O11  1  0.031  0.510  0.335  1.0
  O  O12  1  0.135  0.610  0.019  1.0
  O  O13  1  0.865  0.390  0.981  1.0
  O  O14  1  0.112  0.039  0.797  1.0
  O  O15  1  0.888  0.961  0.203  1.0
  O  O16  1  0.117  0.790  0.607  1.0
  O  O17  1  0.883  0.210  0.393  1.0
  O  O18  1  0.436  0.197  0.507  1.0
  O  O19  1  0.564  0.803  0.493  1.0
  O  O20  1  0.383  0.252  0.841  1.0
  O  O21  1  0.617  0.748  0.159  1.0
  O  O22  1  0.692  0.331  0.656  1.0
  O  O23  1  0.308  0.669  0.344  1.0
  O  O24  1  0.470  0.686  0.840  1.0
  O  O25  1  0.530  0.314  0.160  1.0
  O  O26  1  0.747  0.896  0.832  1.0
  O  O27  1  0.253  0.104  0.168  1.0
[/CIF]
.