The compound described by DyCuSe2 crystallizes in the trigonal P3m1 space group. Dy(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form DySe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with six equivalent Dy(1)Se6 octahedra, and edges with three equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with six equivalent Dy(1)Se6 octahedra, corners with six equivalent Cu(1)Se4 tetrahedra, and edges with three equivalent Dy(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Dy(1) and three equivalent Cu(1) atoms to form distorted edge-sharing SeDy3Cu3 octahedra. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Dy(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_DyCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.075
_cell_length_b   4.075
_cell_length_c   6.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.852
_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  0.000  0.512  1.0
  Cu  Cu1  1  0.667  0.333  0.128  1.0
  Se  Se2  1  0.333  0.667  0.239  1.0
  Se  Se3  1  0.667  0.333  0.748  1.0
[/CIF]
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The compound described by DyCuSe2 crystallizes in the trigonal P3m1 space group. Dy(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form DySe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with six equivalent Dy(1)Se6 octahedra, and edges with three equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with six equivalent Dy(1)Se6 octahedra, corners with six equivalent Cu(1)Se4 tetrahedra, and edges with three equivalent Dy(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Dy(1) and three equivalent Cu(1) atoms to form distorted edge-sharing SeDy3Cu3 octahedra. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Dy(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_DyCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.075
_cell_length_b   4.075
_cell_length_c   6.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   91.852
_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  0.000  0.512  1.0
  Cu  Cu1  1  0.667  0.333  0.128  1.0
  Se  Se2  1  0.333  0.667  0.239  1.0
  Se  Se3  1  0.667  0.333  0.748  1.0
[/CIF]
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