The material structure described by DyCu(WO4)2 crystallizes in the triclinic P1 space group. Dy(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form DyO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom 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 32-56°. Cu(1) is bonded in a distorted linear geometry to one O(2), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Dy(1) and one W(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Dy(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Dy(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Dy(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Dy(1), one W(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Dy(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_DyCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   6.076
_cell_length_c   6.113
_cell_angle_alpha   108.757
_cell_angle_beta   91.884
_cell_angle_gamma   114.264
_symmetry_Int_Tables_number   1
_cell_volume   162.666
_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  0.361  0.909  0.292  1.0
  Cu  Cu1  1  0.877  0.916  0.804  1.0
  W  W2  1  0.619  0.399  0.963  1.0
  W  W3  1  0.119  0.423  0.631  1.0
  O  O4  1  0.341  0.657  0.508  1.0
  O  O5  1  0.378  0.159  0.073  1.0
  O  O6  1  0.844  0.170  0.376  1.0
  O  O7  1  0.878  0.645  0.229  1.0
  O  O8  1  0.832  0.209  0.827  1.0
  O  O9  1  0.343  0.223  0.621  1.0
  O  O10  1  0.401  0.606  0.967  1.0
  O  O11  1  0.911  0.617  0.779  1.0
[/CIF]
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The material structure described by DyCu(WO4)2 crystallizes in the triclinic P1 space group. Dy(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form DyO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Dy(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom 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 32-56°. Cu(1) is bonded in a distorted linear geometry to one O(2), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Dy(1) and one W(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Dy(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Dy(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Dy(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Dy(1), one W(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Dy(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_DyCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   6.076
_cell_length_c   6.113
_cell_angle_alpha   108.757
_cell_angle_beta   91.884
_cell_angle_gamma   114.264
_symmetry_Int_Tables_number   1
_cell_volume   162.666
_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  0.361  0.909  0.292  1.0
  Cu  Cu1  1  0.877  0.916  0.804  1.0
  W  W2  1  0.619  0.399  0.963  1.0
  W  W3  1  0.119  0.423  0.631  1.0
  O  O4  1  0.341  0.657  0.508  1.0
  O  O5  1  0.378  0.159  0.073  1.0
  O  O6  1  0.844  0.170  0.376  1.0
  O  O7  1  0.878  0.645  0.229  1.0
  O  O8  1  0.832  0.209  0.827  1.0
  O  O9  1  0.343  0.223  0.621  1.0
  O  O10  1  0.401  0.606  0.967  1.0
  O  O11  1  0.911  0.617  0.779  1.0
[/CIF]
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