The compound described by DyEuCuS3 crystallizes in the orthorhombic Pnma 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 43°. Eu(1) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. 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. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1), three equivalent Eu(1), and one Cu(1) atom to form distorted SEu3Dy2Cu octahedra that share corners with two equivalent S(3)Eu2Dy2Cu2 octahedra, corners with six equivalent S(2)Eu2Dy2Cu square pyramids, edges with four equivalent S(1)Eu3Dy2Cu octahedra, edges with five equivalent S(3)Eu2Dy2Cu2 octahedra,  an edgeedge with one S(2)Eu2Dy2Cu square pyramid, and  a faceface with one S(2)Eu2Dy2Cu square pyramid. The corner-sharing octahedral tilt angles are 31°. In the second S site, S(2) is bonded to two equivalent Dy(1), two equivalent Eu(1), and one Cu(1) atom to form distorted SEu2Dy2Cu square pyramids that share corners with four equivalent S(3)Eu2Dy2Cu2 octahedra, corners with six equivalent S(1)Eu3Dy2Cu octahedra,  an edgeedge with one S(1)Eu3Dy2Cu octahedra, edges with three equivalent S(3)Eu2Dy2Cu2 octahedra, edges with two equivalent S(2)Eu2Dy2Cu square pyramids, and  a faceface with one S(1)Eu3Dy2Cu octahedra. The corner-sharing octahedral tilt angles range from 2-87°. In the third S site, S(3) is bonded to two equivalent Dy(1), two equivalent Eu(1), and two equivalent Cu(1) atoms to form distorted SEu2Dy2Cu2 octahedra that share corners with two equivalent S(3)Eu2Dy2Cu2 octahedra, corners with two equivalent S(1)Eu3Dy2Cu octahedra, corners with four equivalent S(2)Eu2Dy2Cu square pyramids, edges with two equivalent S(3)Eu2Dy2Cu2 octahedra, edges with five equivalent S(1)Eu3Dy2Cu octahedra, and edges with three equivalent S(2)Eu2Dy2Cu square pyramids. The corner-sharing octahedral tilt angles range from 4-31°. is represented by the CIF file [CIF]
data_EuDyCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.904
_cell_length_b   10.228
_cell_length_c   12.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.196
_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
  Eu  Eu0  1  0.750  0.727  0.500  1.0
  Eu  Eu1  1  0.250  0.273  0.500  1.0
  Eu  Eu2  1  0.750  0.227  0.000  1.0
  Eu  Eu3  1  0.250  0.773  1.000  1.0
  Dy  Dy4  1  0.750  0.486  0.757  1.0
  Dy  Dy5  1  0.250  0.514  0.243  1.0
  Dy  Dy6  1  0.750  0.986  0.743  1.0
  Dy  Dy7  1  0.250  0.014  0.257  1.0
  Cu  Cu8  1  0.750  0.263  0.277  1.0
  Cu  Cu9  1  0.250  0.737  0.723  1.0
  Cu  Cu10  1  0.750  0.763  0.223  1.0
  Cu  Cu11  1  0.250  0.237  0.777  1.0
  S  S12  1  0.750  0.446  0.385  1.0
  S  S13  1  0.250  0.554  0.615  1.0
  S  S14  1  0.750  0.946  0.115  1.0
  S  S15  1  0.250  0.054  0.885  1.0
  S  S16  1  0.750  0.089  0.393  1.0
  S  S17  1  0.250  0.911  0.607  1.0
  S  S18  1  0.750  0.589  0.107  1.0
  S  S19  1  0.250  0.411  0.893  1.0
  S  S20  1  0.750  0.239  0.671  1.0
  S  S21  1  0.250  0.761  0.329  1.0
  S  S22  1  0.750  0.739  0.829  1.0
  S  S23  1  0.250  0.261  0.171  1.0
[/CIF]
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The compound described by DyEuCuS3 crystallizes in the orthorhombic Pnma 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 43°. Eu(1) is bonded in a 7-coordinate geometry to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms. 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. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1), three equivalent Eu(1), and one Cu(1) atom to form distorted SEu3Dy2Cu octahedra that share corners with two equivalent S(3)Eu2Dy2Cu2 octahedra, corners with six equivalent S(2)Eu2Dy2Cu square pyramids, edges with four equivalent S(1)Eu3Dy2Cu octahedra, edges with five equivalent S(3)Eu2Dy2Cu2 octahedra,  an edgeedge with one S(2)Eu2Dy2Cu square pyramid, and  a faceface with one S(2)Eu2Dy2Cu square pyramid. The corner-sharing octahedral tilt angles are 31°. In the second S site, S(2) is bonded to two equivalent Dy(1), two equivalent Eu(1), and one Cu(1) atom to form distorted SEu2Dy2Cu square pyramids that share corners with four equivalent S(3)Eu2Dy2Cu2 octahedra, corners with six equivalent S(1)Eu3Dy2Cu octahedra,  an edgeedge with one S(1)Eu3Dy2Cu octahedra, edges with three equivalent S(3)Eu2Dy2Cu2 octahedra, edges with two equivalent S(2)Eu2Dy2Cu square pyramids, and  a faceface with one S(1)Eu3Dy2Cu octahedra. The corner-sharing octahedral tilt angles range from 2-87°. In the third S site, S(3) is bonded to two equivalent Dy(1), two equivalent Eu(1), and two equivalent Cu(1) atoms to form distorted SEu2Dy2Cu2 octahedra that share corners with two equivalent S(3)Eu2Dy2Cu2 octahedra, corners with two equivalent S(1)Eu3Dy2Cu octahedra, corners with four equivalent S(2)Eu2Dy2Cu square pyramids, edges with two equivalent S(3)Eu2Dy2Cu2 octahedra, edges with five equivalent S(1)Eu3Dy2Cu octahedra, and edges with three equivalent S(2)Eu2Dy2Cu square pyramids. The corner-sharing octahedral tilt angles range from 4-31°. is represented by the CIF file [CIF]
data_EuDyCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.904
_cell_length_b   10.228
_cell_length_c   12.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.196
_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
  Eu  Eu0  1  0.750  0.727  0.500  1.0
  Eu  Eu1  1  0.250  0.273  0.500  1.0
  Eu  Eu2  1  0.750  0.227  0.000  1.0
  Eu  Eu3  1  0.250  0.773  1.000  1.0
  Dy  Dy4  1  0.750  0.486  0.757  1.0
  Dy  Dy5  1  0.250  0.514  0.243  1.0
  Dy  Dy6  1  0.750  0.986  0.743  1.0
  Dy  Dy7  1  0.250  0.014  0.257  1.0
  Cu  Cu8  1  0.750  0.263  0.277  1.0
  Cu  Cu9  1  0.250  0.737  0.723  1.0
  Cu  Cu10  1  0.750  0.763  0.223  1.0
  Cu  Cu11  1  0.250  0.237  0.777  1.0
  S  S12  1  0.750  0.446  0.385  1.0
  S  S13  1  0.250  0.554  0.615  1.0
  S  S14  1  0.750  0.946  0.115  1.0
  S  S15  1  0.250  0.054  0.885  1.0
  S  S16  1  0.750  0.089  0.393  1.0
  S  S17  1  0.250  0.911  0.607  1.0
  S  S18  1  0.750  0.589  0.107  1.0
  S  S19  1  0.250  0.411  0.893  1.0
  S  S20  1  0.750  0.239  0.671  1.0
  S  S21  1  0.250  0.761  0.329  1.0
  S  S22  1  0.750  0.739  0.829  1.0
  S  S23  1  0.250  0.261  0.171  1.0
[/CIF]
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