The structure described by La4Cu3Sb8 crystallizes in the tetragonal I-42m space group. La(1) is bonded in a 11-coordinate geometry to one Cu(1), two equivalent Cu(2), two equivalent Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(1) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to four equivalent La(1), one 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 La(1) and four equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_La4Cu3Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.995
_cell_length_b   10.995
_cell_length_c   10.993
_cell_angle_alpha   146.788
_cell_angle_beta   146.787
_cell_angle_gamma   47.675
_symmetry_Int_Tables_number   1
_cell_volume   397.107
_cell_formula_units_Z   1
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
  La  La0  1  0.630  0.630  0.501  1.0
  La  La1  1  0.129  0.129  0.499  1.0
  La  La2  1  0.370  0.871  1.000  1.0
  La  La3  1  0.871  0.370  1.000  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  1.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  1.000  0.500  1.0
  Sb  Sb7  1  0.321  0.321  0.506  1.0
  Sb  Sb8  1  0.816  0.816  0.495  1.0
  Sb  Sb9  1  0.679  0.185  1.000  1.0
  Sb  Sb10  1  0.185  0.679  1.000  1.0
  Sb  Sb11  1  0.250  0.250  0.000  1.0
  Sb  Sb12  1  0.750  0.750  0.000  1.0
  Sb  Sb13  1  0.750  0.250  0.500  1.0
  Sb  Sb14  1  0.250  0.750  0.500  1.0
[/CIF]
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The structure described by La4Cu3Sb8 crystallizes in the tetragonal I-42m space group. La(1) is bonded in a 11-coordinate geometry to one Cu(1), two equivalent Cu(2), two equivalent Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(1) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to four equivalent La(1), one 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 La(1) and four equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(2) atoms. is represented by the CIF card [CIF]
data_La4Cu3Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.995
_cell_length_b   10.995
_cell_length_c   10.993
_cell_angle_alpha   146.788
_cell_angle_beta   146.787
_cell_angle_gamma   47.675
_symmetry_Int_Tables_number   1
_cell_volume   397.107
_cell_formula_units_Z   1
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
  La  La0  1  0.630  0.630  0.501  1.0
  La  La1  1  0.129  0.129  0.499  1.0
  La  La2  1  0.370  0.871  1.000  1.0
  La  La3  1  0.871  0.370  1.000  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  1.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  1.000  0.500  1.0
  Sb  Sb7  1  0.321  0.321  0.506  1.0
  Sb  Sb8  1  0.816  0.816  0.495  1.0
  Sb  Sb9  1  0.679  0.185  1.000  1.0
  Sb  Sb10  1  0.185  0.679  1.000  1.0
  Sb  Sb11  1  0.250  0.250  0.000  1.0
  Sb  Sb12  1  0.750  0.750  0.000  1.0
  Sb  Sb13  1  0.750  0.250  0.500  1.0
  Sb  Sb14  1  0.250  0.750  0.500  1.0
[/CIF]
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