The material described by W3MoCu4O16 crystallizes in the triclinic P1 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(3), and one O(6) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the second W site, W(2) is bonded to one O(11), one O(16), one O(2), one O(4), one O(7), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third W site, W(3) is bonded to one O(1), one O(10), one O(12), one O(15), one O(3), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. Mo(1) is bonded to one O(11), one O(14), one O(2), one O(4), one O(5), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Cu site, Cu(2) is bonded to one O(10), one O(14), one O(16), one O(2), one O(6), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third Cu site, Cu(3) is bonded to one O(11), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(14), one O(16), one O(4), one O(6), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one W(3), and one Cu(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one W(2), one Mo(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1), one W(3), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(2), one Mo(1), and one Cu(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one W(1), one Cu(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(2), one Cu(1), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one W(3), one Cu(2), and one Cu(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one W(2), one Mo(1), and one Cu(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one W(2), one Mo(1), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one W(1), one Cu(1), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mo(1), one Cu(2), and one Cu(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one W(3), one Cu(1), and one Cu(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one W(2), one Cu(2), and one Cu(4) atom. is represented by the CIF file [CIF]
data_Cu4MoW3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.971
_cell_length_b   7.091
_cell_length_c   8.136
_cell_angle_alpha   77.176
_cell_angle_beta   85.541
_cell_angle_gamma   90.070
_symmetry_Int_Tables_number   1
_cell_volume   278.773
_cell_formula_units_Z   1
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  0.254  0.919  0.422  1.0
  Cu  Cu1  1  0.255  0.418  0.925  1.0
  Cu  Cu2  1  0.744  0.081  0.576  1.0
  Cu  Cu3  1  0.745  0.582  0.075  1.0
  Mo  Mo4  1  0.252  0.922  0.905  1.0
  W  W5  1  0.254  0.422  0.409  1.0
  W  W6  1  0.745  0.076  0.093  1.0
  W  W7  1  0.746  0.577  0.591  1.0
  O  O8  1  0.430  0.668  0.454  1.0
  O  O9  1  0.430  0.168  0.954  1.0
  O  O10  1  0.570  0.332  0.546  1.0
  O  O11  1  0.572  0.833  0.045  1.0
  O  O12  1  0.428  0.948  0.700  1.0
  O  O13  1  0.428  0.450  0.200  1.0
  O  O14  1  0.572  0.052  0.302  1.0
  O  O15  1  0.571  0.551  0.800  1.0
  O  O16  1  0.052  0.937  0.153  1.0
  O  O17  1  0.055  0.435  0.651  1.0
  O  O18  1  0.949  0.064  0.849  1.0
  O  O19  1  0.945  0.564  0.350  1.0
  O  O20  1  0.094  0.173  0.444  1.0
  O  O21  1  0.094  0.673  0.945  1.0
  O  O22  1  0.907  0.827  0.556  1.0
  O  O23  1  0.907  0.327  0.055  1.0
[/CIF]
.
The material described by W3MoCu4O16 crystallizes in the triclinic P1 space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(3), and one O(6) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent W(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the second W site, W(2) is bonded to one O(11), one O(16), one O(2), one O(4), one O(7), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third W site, W(3) is bonded to one O(1), one O(10), one O(12), one O(15), one O(3), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. Mo(1) is bonded to one O(11), one O(14), one O(2), one O(4), one O(5), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(4)O6 octahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the second Cu site, Cu(2) is bonded to one O(10), one O(14), one O(16), one O(2), one O(6), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the third Cu site, Cu(3) is bonded to one O(11), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(14), one O(16), one O(4), one O(6), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one W(3), and one Cu(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one W(2), one Mo(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1), one W(3), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one W(2), one Mo(1), and one Cu(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one W(1), one Cu(2), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one W(2), one Cu(1), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one W(3), one Cu(2), and one Cu(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one W(2), one Mo(1), and one Cu(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one W(2), one Mo(1), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one W(1), one W(3), and one Cu(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one W(1), one Cu(1), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mo(1), one Cu(2), and one Cu(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one W(3), one Cu(1), and one Cu(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one W(2), one Cu(2), and one Cu(4) atom. is represented by the CIF file [CIF]
data_Cu4MoW3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.971
_cell_length_b   7.091
_cell_length_c   8.136
_cell_angle_alpha   77.176
_cell_angle_beta   85.541
_cell_angle_gamma   90.070
_symmetry_Int_Tables_number   1
_cell_volume   278.773
_cell_formula_units_Z   1
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  0.254  0.919  0.422  1.0
  Cu  Cu1  1  0.255  0.418  0.925  1.0
  Cu  Cu2  1  0.744  0.081  0.576  1.0
  Cu  Cu3  1  0.745  0.582  0.075  1.0
  Mo  Mo4  1  0.252  0.922  0.905  1.0
  W  W5  1  0.254  0.422  0.409  1.0
  W  W6  1  0.745  0.076  0.093  1.0
  W  W7  1  0.746  0.577  0.591  1.0
  O  O8  1  0.430  0.668  0.454  1.0
  O  O9  1  0.430  0.168  0.954  1.0
  O  O10  1  0.570  0.332  0.546  1.0
  O  O11  1  0.572  0.833  0.045  1.0
  O  O12  1  0.428  0.948  0.700  1.0
  O  O13  1  0.428  0.450  0.200  1.0
  O  O14  1  0.572  0.052  0.302  1.0
  O  O15  1  0.571  0.551  0.800  1.0
  O  O16  1  0.052  0.937  0.153  1.0
  O  O17  1  0.055  0.435  0.651  1.0
  O  O18  1  0.949  0.064  0.849  1.0
  O  O19  1  0.945  0.564  0.350  1.0
  O  O20  1  0.094  0.173  0.444  1.0
  O  O21  1  0.094  0.673  0.945  1.0
  O  O22  1  0.907  0.827  0.556  1.0
  O  O23  1  0.907  0.327  0.055  1.0
[/CIF]
.