The compound described by Ba3Cd2Sb4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent Cd(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form edge-sharing BaSb6 octahedra. Cd(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), four equivalent Ba(1), one Cd(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Ba(2), three equivalent Ba(1), and three equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Ba3(CdSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   7.815
_cell_length_c   9.396
_cell_angle_alpha   111.459
_cell_angle_beta   105.177
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   322.619
_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
  Ba  Ba0  1  0.857  0.410  0.714  1.0
  Ba  Ba1  1  0.143  0.590  0.286  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.332  0.031  0.664  1.0
  Cd  Cd4  1  0.668  0.969  0.336  1.0
  Sb  Sb5  1  0.497  0.315  0.994  1.0
  Sb  Sb6  1  0.793  0.808  0.586  1.0
  Sb  Sb7  1  0.503  0.685  0.006  1.0
  Sb  Sb8  1  0.207  0.192  0.414  1.0
[/CIF]
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The compound described by Ba3Cd2Sb4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent Cd(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form edge-sharing BaSb6 octahedra. Cd(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1), one Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), four equivalent Ba(1), one Cd(1), and one Sb(1) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Ba(2), three equivalent Ba(1), and three equivalent Cd(1) atoms. is represented by the CIF file [CIF]
data_Ba3(CdSb2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.920
_cell_length_b   7.815
_cell_length_c   9.396
_cell_angle_alpha   111.459
_cell_angle_beta   105.177
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   322.619
_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
  Ba  Ba0  1  0.857  0.410  0.714  1.0
  Ba  Ba1  1  0.143  0.590  0.286  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.332  0.031  0.664  1.0
  Cd  Cd4  1  0.668  0.969  0.336  1.0
  Sb  Sb5  1  0.497  0.315  0.994  1.0
  Sb  Sb6  1  0.793  0.808  0.586  1.0
  Sb  Sb7  1  0.503  0.685  0.006  1.0
  Sb  Sb8  1  0.207  0.192  0.414  1.0
[/CIF]
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