The structure described by DyCuPbS3 crystallizes in the orthorhombic Cmc2_1 space group. Dy(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Dy(1)S6 octahedra. Pb(1) is bonded in a 4-coordinate geometry to two equivalent S(2) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one Cu(1), and two equivalent Pb(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Cu(1), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_DyCuPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   10.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.581
_symmetry_Int_Tables_number   1
_cell_volume   262.769
_cell_formula_units_Z   2
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  0.997  0.003  0.498  1.0
  Dy  Dy1  1  0.003  0.997  0.998  1.0
  Cu  Cu2  1  0.468  0.532  0.249  1.0
  Cu  Cu3  1  0.532  0.468  0.749  1.0
  Pb  Pb4  1  0.748  0.252  0.222  1.0
  Pb  Pb5  1  0.252  0.748  0.722  1.0
  S  S6  1  0.362  0.638  0.433  1.0
  S  S7  1  0.636  0.364  0.566  1.0
  S  S8  1  0.364  0.636  0.066  1.0
  S  S9  1  0.638  0.362  0.933  1.0
  S  S10  1  0.074  0.926  0.250  1.0
  S  S11  1  0.926  0.074  0.750  1.0
[/CIF]
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The structure described by DyCuPbS3 crystallizes in the orthorhombic Cmc2_1 space group. Dy(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form DyS6 octahedra that share corners with two equivalent Dy(1)S6 octahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Cu(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Dy(1)S6 octahedra. Pb(1) is bonded in a 4-coordinate geometry to two equivalent S(2) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Dy(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one Cu(1), and two equivalent Pb(1) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Cu(1), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_DyCuPbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.833
_cell_length_b   6.833
_cell_length_c   10.217
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.581
_symmetry_Int_Tables_number   1
_cell_volume   262.769
_cell_formula_units_Z   2
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  0.997  0.003  0.498  1.0
  Dy  Dy1  1  0.003  0.997  0.998  1.0
  Cu  Cu2  1  0.468  0.532  0.249  1.0
  Cu  Cu3  1  0.532  0.468  0.749  1.0
  Pb  Pb4  1  0.748  0.252  0.222  1.0
  Pb  Pb5  1  0.252  0.748  0.722  1.0
  S  S6  1  0.362  0.638  0.433  1.0
  S  S7  1  0.636  0.364  0.566  1.0
  S  S8  1  0.364  0.636  0.066  1.0
  S  S9  1  0.638  0.362  0.933  1.0
  S  S10  1  0.074  0.926  0.250  1.0
  S  S11  1  0.926  0.074  0.750  1.0
[/CIF]
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