The crystal structure described by DyCu(WO4)2 crystallizes in the triclinic P-1 space group. Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form DyO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-56°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-56°. Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Dy(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Dy(1) and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Dy(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   6.072
_cell_length_c   6.126
_cell_angle_alpha   108.847
_cell_angle_beta   91.620
_cell_angle_gamma   113.992
_symmetry_Int_Tables_number   1
_cell_volume   162.349
_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
  Dy  Dy0  1  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.749  0.011  0.330  1.0
  W  W3  1  0.251  0.989  0.670  1.0
  O  O4  1  0.482  0.759  0.073  1.0
  O  O5  1  0.980  0.243  0.209  1.0
  O  O6  1  0.460  0.796  0.524  1.0
  O  O7  1  0.026  0.192  0.667  1.0
  O  O8  1  0.020  0.757  0.791  1.0
  O  O9  1  0.518  0.241  0.927  1.0
  O  O10  1  0.540  0.204  0.476  1.0
  O  O11  1  0.974  0.808  0.333  1.0
[/CIF]
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The crystal structure described by DyCu(WO4)2 crystallizes in the triclinic P-1 space group. Dy(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form DyO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-56°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-56°. Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Dy(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Dy(1) and one W(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Dy(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_DyCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   6.072
_cell_length_c   6.126
_cell_angle_alpha   108.847
_cell_angle_beta   91.620
_cell_angle_gamma   113.992
_symmetry_Int_Tables_number   1
_cell_volume   162.349
_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
  Dy  Dy0  1  0.000  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  W  W2  1  0.749  0.011  0.330  1.0
  W  W3  1  0.251  0.989  0.670  1.0
  O  O4  1  0.482  0.759  0.073  1.0
  O  O5  1  0.980  0.243  0.209  1.0
  O  O6  1  0.460  0.796  0.524  1.0
  O  O7  1  0.026  0.192  0.667  1.0
  O  O8  1  0.020  0.757  0.791  1.0
  O  O9  1  0.518  0.241  0.927  1.0
  O  O10  1  0.540  0.204  0.476  1.0
  O  O11  1  0.974  0.808  0.333  1.0
[/CIF]
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