The crystal structure described by DyCuPbSe3 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(3) atoms to form DySe6 octahedra that share corners with two equivalent Dy(1)Se6 octahedra, edges with two equivalent Dy(1)Se6 octahedra, and edges with four equivalent Cu(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. Cu(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra and edges with four equivalent Dy(1)Se6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Cu(1), and two equivalent Pb(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Dy(1), one Cu(1), and three equivalent Pb(1) atoms. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one Cu(1), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_DyCuPbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.062
_cell_length_b   10.608
_cell_length_c   13.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.290
_cell_formula_units_Z   4
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  0.250  0.514  0.742  1.0
  Dy  Dy1  1  0.750  0.986  0.242  1.0
  Dy  Dy2  1  0.750  0.486  0.258  1.0
  Dy  Dy3  1  0.250  0.014  0.758  1.0
  Cu  Cu4  1  0.250  0.741  0.223  1.0
  Cu  Cu5  1  0.750  0.259  0.777  1.0
  Cu  Cu6  1  0.750  0.759  0.723  1.0
  Cu  Cu7  1  0.250  0.241  0.277  1.0
  Pb  Pb8  1  0.750  0.225  0.495  1.0
  Pb  Pb9  1  0.250  0.275  0.995  1.0
  Pb  Pb10  1  0.250  0.775  0.505  1.0
  Pb  Pb11  1  0.750  0.725  0.005  1.0
  Se  Se12  1  0.750  0.240  0.170  1.0
  Se  Se13  1  0.250  0.551  0.116  1.0
  Se  Se14  1  0.750  0.949  0.616  1.0
  Se  Se15  1  0.750  0.740  0.330  1.0
  Se  Se16  1  0.750  0.084  0.894  1.0
  Se  Se17  1  0.250  0.916  0.106  1.0
  Se  Se18  1  0.750  0.449  0.884  1.0
  Se  Se19  1  0.250  0.416  0.394  1.0
  Se  Se20  1  0.250  0.051  0.384  1.0
  Se  Se21  1  0.250  0.260  0.670  1.0
  Se  Se22  1  0.250  0.760  0.830  1.0
  Se  Se23  1  0.750  0.584  0.606  1.0
[/CIF]
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The crystal structure described by DyCuPbSe3 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(3) atoms to form DySe6 octahedra that share corners with two equivalent Dy(1)Se6 octahedra, edges with two equivalent Dy(1)Se6 octahedra, and edges with four equivalent Cu(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. Cu(1) is bonded to one Se(2), one Se(3), and two equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with two equivalent Cu(1)Se4 tetrahedra and edges with four equivalent Dy(1)Se6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(3), and three equivalent Se(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Cu(1), and two equivalent Pb(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Dy(1), one Cu(1), and three equivalent Pb(1) atoms. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one Cu(1), and two equivalent Pb(1) atoms. is represented by the CIF file [CIF]
data_DyCuPbSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.062
_cell_length_b   10.608
_cell_length_c   13.629
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.290
_cell_formula_units_Z   4
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  0.250  0.514  0.742  1.0
  Dy  Dy1  1  0.750  0.986  0.242  1.0
  Dy  Dy2  1  0.750  0.486  0.258  1.0
  Dy  Dy3  1  0.250  0.014  0.758  1.0
  Cu  Cu4  1  0.250  0.741  0.223  1.0
  Cu  Cu5  1  0.750  0.259  0.777  1.0
  Cu  Cu6  1  0.750  0.759  0.723  1.0
  Cu  Cu7  1  0.250  0.241  0.277  1.0
  Pb  Pb8  1  0.750  0.225  0.495  1.0
  Pb  Pb9  1  0.250  0.275  0.995  1.0
  Pb  Pb10  1  0.250  0.775  0.505  1.0
  Pb  Pb11  1  0.750  0.725  0.005  1.0
  Se  Se12  1  0.750  0.240  0.170  1.0
  Se  Se13  1  0.250  0.551  0.116  1.0
  Se  Se14  1  0.750  0.949  0.616  1.0
  Se  Se15  1  0.750  0.740  0.330  1.0
  Se  Se16  1  0.750  0.084  0.894  1.0
  Se  Se17  1  0.250  0.916  0.106  1.0
  Se  Se18  1  0.750  0.449  0.884  1.0
  Se  Se19  1  0.250  0.416  0.394  1.0
  Se  Se20  1  0.250  0.051  0.384  1.0
  Se  Se21  1  0.250  0.260  0.670  1.0
  Se  Se22  1  0.250  0.760  0.830  1.0
  Se  Se23  1  0.750  0.584  0.606  1.0
[/CIF]
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