The compound described by Dy3CuSe6 crystallizes in the orthorhombic Pca2_1 space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 8-coordinate geometry to one Se(1), one Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(6) atoms. In the second Dy site, Dy(2) is bonded in a 10-coordinate geometry to two equivalent Cu(1), one Se(2), one Se(6), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(5) atoms. In the third Dy site, Dy(3) is bonded in a 9-coordinate geometry to one Cu(1), one Se(1), one Se(6), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. Cu(1) is bonded in a 4-coordinate geometry to one Dy(3), two equivalent Dy(2), one Se(2), one Se(5), and two equivalent Se(1) atoms. There are six inequivalent Se sites. In the first Se site, Se(5) is bonded in a 5-coordinate geometry to two equivalent Dy(2), two equivalent Dy(3), one Cu(1), and one Se(4) atom. In the second Se site, Se(6) is bonded to one Dy(2), one Dy(3), and two equivalent Dy(1) atoms to form distorted corner-sharing SeDy4 trigonal pyramids. In the third Se site, Se(1) is bonded in a 6-coordinate geometry to one Dy(1), one Dy(3), two equivalent Dy(2), and two equivalent Cu(1) atoms. In the fourth Se site, Se(2) is bonded in a 5-coordinate geometry to one Dy(1), one Dy(2), two equivalent Dy(3), and one Cu(1) atom. In the fifth Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and one Se(4) atom. In the sixth Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Dy(3), one Se(3), and one Se(5) atom. is represented by the CIF card [CIF]
data_Dy3CuSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.091
_cell_length_b   7.749
_cell_length_c   17.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   938.478
_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  0.265  0.941  0.247  1.0
  Dy  Dy1  1  0.735  0.059  0.747  1.0
  Dy  Dy2  1  0.265  0.559  0.747  1.0
  Dy  Dy3  1  0.735  0.441  0.247  1.0
  Dy  Dy4  1  0.227  0.555  0.412  1.0
  Dy  Dy5  1  0.773  0.445  0.912  1.0
  Dy  Dy6  1  0.245  0.939  0.591  1.0
  Dy  Dy7  1  0.755  0.061  0.091  1.0
  Dy  Dy8  1  0.755  0.439  0.591  1.0
  Dy  Dy9  1  0.245  0.561  0.091  1.0
  Dy  Dy10  1  0.773  0.055  0.412  1.0
  Dy  Dy11  1  0.227  0.945  0.912  1.0
  Cu  Cu12  1  0.397  0.207  0.476  1.0
  Cu  Cu13  1  0.603  0.793  0.976  1.0
  Cu  Cu14  1  0.603  0.707  0.476  1.0
  Cu  Cu15  1  0.397  0.293  0.976  1.0
  Se  Se16  1  0.387  0.909  0.416  1.0
  Se  Se17  1  0.613  0.091  0.916  1.0
  Se  Se18  1  0.384  0.593  0.580  1.0
  Se  Se19  1  0.616  0.407  0.080  1.0
  Se  Se20  1  0.616  0.093  0.580  1.0
  Se  Se21  1  0.384  0.907  0.080  1.0
  Se  Se22  1  0.613  0.409  0.416  1.0
  Se  Se23  1  0.387  0.591  0.916  1.0
  Se  Se24  1  0.076  0.250  0.321  1.0
  Se  Se25  1  0.924  0.750  0.821  1.0
  Se  Se26  1  0.075  0.247  0.677  1.0
  Se  Se27  1  0.925  0.753  0.177  1.0
  Se  Se28  1  0.925  0.747  0.677  1.0
  Se  Se29  1  0.075  0.253  0.177  1.0
  Se  Se30  1  0.924  0.750  0.321  1.0
  Se  Se31  1  0.076  0.250  0.821  1.0
  Se  Se32  1  0.064  0.250  0.501  1.0
  Se  Se33  1  0.936  0.750  0.001  1.0
  Se  Se34  1  0.936  0.750  0.501  1.0
  Se  Se35  1  0.064  0.250  0.001  1.0
  Se  Se36  1  0.382  0.599  0.251  1.0
  Se  Se37  1  0.618  0.401  0.751  1.0
  Se  Se38  1  0.382  0.901  0.751  1.0
  Se  Se39  1  0.618  0.099  0.251  1.0
[/CIF]
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The compound described by Dy3CuSe6 crystallizes in the orthorhombic Pca2_1 space group. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 8-coordinate geometry to one Se(1), one Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(6) atoms. In the second Dy site, Dy(2) is bonded in a 10-coordinate geometry to two equivalent Cu(1), one Se(2), one Se(6), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(5) atoms. In the third Dy site, Dy(3) is bonded in a 9-coordinate geometry to one Cu(1), one Se(1), one Se(6), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. Cu(1) is bonded in a 4-coordinate geometry to one Dy(3), two equivalent Dy(2), one Se(2), one Se(5), and two equivalent Se(1) atoms. There are six inequivalent Se sites. In the first Se site, Se(5) is bonded in a 5-coordinate geometry to two equivalent Dy(2), two equivalent Dy(3), one Cu(1), and one Se(4) atom. In the second Se site, Se(6) is bonded to one Dy(2), one Dy(3), and two equivalent Dy(1) atoms to form distorted corner-sharing SeDy4 trigonal pyramids. In the third Se site, Se(1) is bonded in a 6-coordinate geometry to one Dy(1), one Dy(3), two equivalent Dy(2), and two equivalent Cu(1) atoms. In the fourth Se site, Se(2) is bonded in a 5-coordinate geometry to one Dy(1), one Dy(2), two equivalent Dy(3), and one Cu(1) atom. In the fifth Se site, Se(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and one Se(4) atom. In the sixth Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Dy(1), two equivalent Dy(3), one Se(3), and one Se(5) atom. is represented by the CIF card [CIF]
data_Dy3CuSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.091
_cell_length_b   7.749
_cell_length_c   17.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   938.478
_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  0.265  0.941  0.247  1.0
  Dy  Dy1  1  0.735  0.059  0.747  1.0
  Dy  Dy2  1  0.265  0.559  0.747  1.0
  Dy  Dy3  1  0.735  0.441  0.247  1.0
  Dy  Dy4  1  0.227  0.555  0.412  1.0
  Dy  Dy5  1  0.773  0.445  0.912  1.0
  Dy  Dy6  1  0.245  0.939  0.591  1.0
  Dy  Dy7  1  0.755  0.061  0.091  1.0
  Dy  Dy8  1  0.755  0.439  0.591  1.0
  Dy  Dy9  1  0.245  0.561  0.091  1.0
  Dy  Dy10  1  0.773  0.055  0.412  1.0
  Dy  Dy11  1  0.227  0.945  0.912  1.0
  Cu  Cu12  1  0.397  0.207  0.476  1.0
  Cu  Cu13  1  0.603  0.793  0.976  1.0
  Cu  Cu14  1  0.603  0.707  0.476  1.0
  Cu  Cu15  1  0.397  0.293  0.976  1.0
  Se  Se16  1  0.387  0.909  0.416  1.0
  Se  Se17  1  0.613  0.091  0.916  1.0
  Se  Se18  1  0.384  0.593  0.580  1.0
  Se  Se19  1  0.616  0.407  0.080  1.0
  Se  Se20  1  0.616  0.093  0.580  1.0
  Se  Se21  1  0.384  0.907  0.080  1.0
  Se  Se22  1  0.613  0.409  0.416  1.0
  Se  Se23  1  0.387  0.591  0.916  1.0
  Se  Se24  1  0.076  0.250  0.321  1.0
  Se  Se25  1  0.924  0.750  0.821  1.0
  Se  Se26  1  0.075  0.247  0.677  1.0
  Se  Se27  1  0.925  0.753  0.177  1.0
  Se  Se28  1  0.925  0.747  0.677  1.0
  Se  Se29  1  0.075  0.253  0.177  1.0
  Se  Se30  1  0.924  0.750  0.321  1.0
  Se  Se31  1  0.076  0.250  0.821  1.0
  Se  Se32  1  0.064  0.250  0.501  1.0
  Se  Se33  1  0.936  0.750  0.001  1.0
  Se  Se34  1  0.936  0.750  0.501  1.0
  Se  Se35  1  0.064  0.250  0.001  1.0
  Se  Se36  1  0.382  0.599  0.251  1.0
  Se  Se37  1  0.618  0.401  0.751  1.0
  Se  Se38  1  0.382  0.901  0.751  1.0
  Se  Se39  1  0.618  0.099  0.251  1.0
[/CIF]
.