The material described by Ba5Cd2(Sb2O)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to two equivalent Sb(1), four equivalent Sb(2), and one O(1) atom. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one Sb(1), three equivalent Sb(2), and three equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent O(1) atoms. Cd(1) is bonded in a 4-coordinate geometry to one Sb(2) and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Ba(2), two equivalent Ba(1), two equivalent Ba(3), and three equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Ba(2), four equivalent Ba(1), one Cd(1), and one Sb(2) atom. O(1) is bonded to one Ba(1), one Ba(3), and three equivalent Ba(2) atoms to form a mixture of corner and edge-sharing OBa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba5Cd2(Sb2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   9.128
_cell_length_c   9.531
_cell_angle_alpha   83.800
_cell_angle_beta   74.747
_cell_angle_gamma   74.055
_symmetry_Int_Tables_number   1
_cell_volume   404.450
_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  0.975  0.348  0.703  1.0
  Ba  Ba1  1  0.025  0.652  0.297  1.0
  Ba  Ba2  1  0.700  0.950  0.650  1.0
  Ba  Ba3  1  0.300  0.050  0.350  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Cd  Cd5  1  0.739  0.400  0.123  1.0
  Cd  Cd6  1  0.261  0.600  0.877  1.0
  Sb  Sb7  1  0.635  0.720  0.010  1.0
  Sb  Sb8  1  0.365  0.280  0.990  1.0
  Sb  Sb9  1  0.607  0.354  0.433  1.0
  Sb  Sb10  1  0.393  0.646  0.567  1.0
  O  O11  1  0.871  0.946  0.313  1.0
  O  O12  1  0.129  0.054  0.687  1.0
[/CIF]
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The material described by Ba5Cd2(Sb2O)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to two equivalent Sb(1), four equivalent Sb(2), and one O(1) atom. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one Sb(1), three equivalent Sb(2), and three equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent O(1) atoms. Cd(1) is bonded in a 4-coordinate geometry to one Sb(2) and three equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Ba(2), two equivalent Ba(1), two equivalent Ba(3), and three equivalent Cd(1) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to three equivalent Ba(2), four equivalent Ba(1), one Cd(1), and one Sb(2) atom. O(1) is bonded to one Ba(1), one Ba(3), and three equivalent Ba(2) atoms to form a mixture of corner and edge-sharing OBa5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ba5Cd2(Sb2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   9.128
_cell_length_c   9.531
_cell_angle_alpha   83.800
_cell_angle_beta   74.747
_cell_angle_gamma   74.055
_symmetry_Int_Tables_number   1
_cell_volume   404.450
_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  0.975  0.348  0.703  1.0
  Ba  Ba1  1  0.025  0.652  0.297  1.0
  Ba  Ba2  1  0.700  0.950  0.650  1.0
  Ba  Ba3  1  0.300  0.050  0.350  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Cd  Cd5  1  0.739  0.400  0.123  1.0
  Cd  Cd6  1  0.261  0.600  0.877  1.0
  Sb  Sb7  1  0.635  0.720  0.010  1.0
  Sb  Sb8  1  0.365  0.280  0.990  1.0
  Sb  Sb9  1  0.607  0.354  0.433  1.0
  Sb  Sb10  1  0.393  0.646  0.567  1.0
  O  O11  1  0.871  0.946  0.313  1.0
  O  O12  1  0.129  0.054  0.687  1.0
[/CIF]
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