The crystal structure described by YCu3(WO3)4 crystallizes in the triclinic P-1 space group. Y(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form YO12 cuboctahedra that share faces with two equivalent W(1)O6 octahedra, faces with two equivalent W(2)O6 octahedra, faces with two equivalent W(3)O6 octahedra, and faces with two equivalent W(4)O6 octahedra. There are four inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent W(4)O6 octahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent W(4)O6 octahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the third W site, W(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(4)O6 octahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the fourth W site, W(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 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, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-40°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one W(1), one W(3), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one W(2), one W(4), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one W(3), one W(4), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the fourth O site, O(4) is bonded to one Y(1), one W(1), one W(4), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the fifth O site, O(5) is bonded to one Y(1), one W(2), one W(3), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the sixth O site, O(6) is bonded to one Y(1), one W(1), one W(2), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. is represented by the CIF file [CIF]
data_YCu3(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.723
_cell_length_c   6.765
_cell_angle_alpha   109.568
_cell_angle_beta   109.243
_cell_angle_gamma   108.909
_symmetry_Int_Tables_number   1
_cell_volume   235.101
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  W  W4  1  0.500  0.000  0.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.705  0.881  0.175  1.0
  O  O9  1  0.295  0.119  0.825  1.0
  O  O10  1  0.292  0.463  0.167  1.0
  O  O11  1  0.121  0.831  0.287  1.0
  O  O12  1  0.192  0.725  0.895  1.0
  O  O13  1  0.836  0.706  0.545  1.0
  O  O14  1  0.534  0.828  0.710  1.0
  O  O15  1  0.808  0.275  0.105  1.0
  O  O16  1  0.708  0.537  0.833  1.0
  O  O17  1  0.879  0.169  0.713  1.0
  O  O18  1  0.164  0.294  0.455  1.0
  O  O19  1  0.466  0.172  0.290  1.0
[/CIF]
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The crystal structure described by YCu3(WO3)4 crystallizes in the triclinic P-1 space group. Y(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form YO12 cuboctahedra that share faces with two equivalent W(1)O6 octahedra, faces with two equivalent W(2)O6 octahedra, faces with two equivalent W(3)O6 octahedra, and faces with two equivalent W(4)O6 octahedra. There are four inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent W(4)O6 octahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-38°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(3)O6 octahedra, corners with two equivalent W(4)O6 octahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the third W site, W(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(4)O6 octahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the fourth W site, W(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 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, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-40°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one W(1), one W(3), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one W(2), one W(4), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the third O site, O(3) is bonded to one Y(1), one W(3), one W(4), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the fourth O site, O(4) is bonded to one Y(1), one W(1), one W(4), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the fifth O site, O(5) is bonded to one Y(1), one W(2), one W(3), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. In the sixth O site, O(6) is bonded to one Y(1), one W(1), one W(2), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OYCuW2 tetrahedra. is represented by the CIF file [CIF]
data_YCu3(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.659
_cell_length_b   6.723
_cell_length_c   6.765
_cell_angle_alpha   109.568
_cell_angle_beta   109.243
_cell_angle_gamma   108.909
_symmetry_Int_Tables_number   1
_cell_volume   235.101
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  W  W4  1  0.500  0.000  0.000  1.0
  W  W5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.705  0.881  0.175  1.0
  O  O9  1  0.295  0.119  0.825  1.0
  O  O10  1  0.292  0.463  0.167  1.0
  O  O11  1  0.121  0.831  0.287  1.0
  O  O12  1  0.192  0.725  0.895  1.0
  O  O13  1  0.836  0.706  0.545  1.0
  O  O14  1  0.534  0.828  0.710  1.0
  O  O15  1  0.808  0.275  0.105  1.0
  O  O16  1  0.708  0.537  0.833  1.0
  O  O17  1  0.879  0.169  0.713  1.0
  O  O18  1  0.164  0.294  0.455  1.0
  O  O19  1  0.466  0.172  0.290  1.0
[/CIF]
.