The material described by DyCuSb2 is Parent of FeAs superconductors-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent Cu(1), two equivalent Cu(2), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(2) atoms to form a mixture of edge, face, and corner-sharing DyCu4Sb8 cuboctahedra. In the second Dy site, Dy(2) is bonded to two equivalent Cu(1), two equivalent Cu(2), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(1) atoms to form a mixture of edge, face, and corner-sharing DyCu4Sb8 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), four equivalent Cu(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), four equivalent Cu(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Dy(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Dy(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and four equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and four equivalent Sb(3) atoms. is represented by the CIF file [CIF]
data_DyCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.323
_cell_length_b   4.318
_cell_length_c   9.774
_cell_angle_alpha   90.419
_cell_angle_beta   89.836
_cell_angle_gamma   90.151
_symmetry_Int_Tables_number   1
_cell_volume   182.481
_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  0.251  0.249  0.250  1.0
  Dy  Dy1  1  0.749  0.751  0.750  1.0
  Cu  Cu2  1  0.746  0.241  0.000  1.0
  Cu  Cu3  1  0.254  0.761  1.000  1.0
  Sb  Sb4  1  0.248  0.255  0.839  1.0
  Sb  Sb5  1  0.752  0.745  0.161  1.0
  Sb  Sb6  1  0.250  0.749  0.500  1.0
  Sb  Sb7  1  0.750  0.249  0.500  1.0
[/CIF]
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The material described by DyCuSb2 is Parent of FeAs superconductors-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent Cu(1), two equivalent Cu(2), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(2) atoms to form a mixture of edge, face, and corner-sharing DyCu4Sb8 cuboctahedra. In the second Dy site, Dy(2) is bonded to two equivalent Cu(1), two equivalent Cu(2), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(1) atoms to form a mixture of edge, face, and corner-sharing DyCu4Sb8 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), four equivalent Cu(2), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), four equivalent Cu(1), two equivalent Sb(1), and two equivalent Sb(2) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Dy(2), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Dy(1), two equivalent Cu(1), and two equivalent Cu(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and four equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Dy(1), two equivalent Dy(2), and four equivalent Sb(3) atoms. is represented by the CIF file [CIF]
data_DyCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.323
_cell_length_b   4.318
_cell_length_c   9.774
_cell_angle_alpha   90.419
_cell_angle_beta   89.836
_cell_angle_gamma   90.151
_symmetry_Int_Tables_number   1
_cell_volume   182.481
_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  0.251  0.249  0.250  1.0
  Dy  Dy1  1  0.749  0.751  0.750  1.0
  Cu  Cu2  1  0.746  0.241  0.000  1.0
  Cu  Cu3  1  0.254  0.761  1.000  1.0
  Sb  Sb4  1  0.248  0.255  0.839  1.0
  Sb  Sb5  1  0.752  0.745  0.161  1.0
  Sb  Sb6  1  0.250  0.749  0.500  1.0
  Sb  Sb7  1  0.750  0.249  0.500  1.0
[/CIF]
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