The structure described by BaCd11 crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded in a 18-coordinate geometry to two equivalent Cd(2) and sixteen equivalent Cd(1) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(3) is bonded in a 10-coordinate geometry to two equivalent Cd(2) and eight equivalent Cd(1) atoms. In the second Cd site, Cd(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), one Cd(2), two equivalent Cd(3), and seven equivalent Cd(1) atoms. In the third Cd site, Cd(2) is bonded in a 14-coordinate geometry to two equivalent Ba(1), four equivalent Cd(3), and eight equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCd11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   9.386
_cell_length_c   9.386
_cell_angle_alpha   80.144
_cell_angle_beta   65.490
_cell_angle_gamma   65.490
_symmetry_Int_Tables_number   1
_cell_volume   567.080
_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
  Ba  Ba0  1  0.625  0.750  0.250  1.0
  Ba  Ba1  1  0.375  0.250  0.750  1.0
  Cd  Cd2  1  0.868  0.334  0.077  1.0
  Cd  Cd3  1  0.278  0.166  0.424  1.0
  Cd  Cd4  1  0.125  0.750  0.250  1.0
  Cd  Cd5  1  0.875  0.250  0.750  1.0
  Cd  Cd6  1  0.000  0.000  0.000  1.0
  Cd  Cd7  1  0.500  0.500  0.000  1.0
  Cd  Cd8  1  0.000  0.000  0.500  1.0
  Cd  Cd9  1  0.000  0.500  0.500  1.0
  Cd  Cd10  1  0.278  0.924  0.666  1.0
  Cd  Cd11  1  0.444  0.834  0.923  1.0
  Cd  Cd12  1  0.202  0.666  0.577  1.0
  Cd  Cd13  1  0.868  0.577  0.834  1.0
  Cd  Cd14  1  0.798  0.923  0.834  1.0
  Cd  Cd15  1  0.556  0.577  0.666  1.0
  Cd  Cd16  1  0.722  0.834  0.576  1.0
  Cd  Cd17  1  0.132  0.666  0.923  1.0
  Cd  Cd18  1  0.722  0.076  0.334  1.0
  Cd  Cd19  1  0.556  0.166  0.077  1.0
  Cd  Cd20  1  0.798  0.334  0.423  1.0
  Cd  Cd21  1  0.132  0.423  0.166  1.0
  Cd  Cd22  1  0.202  0.077  0.166  1.0
  Cd  Cd23  1  0.444  0.423  0.334  1.0
[/CIF]
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The structure described by BaCd11 crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded in a 18-coordinate geometry to two equivalent Cd(2) and sixteen equivalent Cd(1) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(3) is bonded in a 10-coordinate geometry to two equivalent Cd(2) and eight equivalent Cd(1) atoms. In the second Cd site, Cd(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), one Cd(2), two equivalent Cd(3), and seven equivalent Cd(1) atoms. In the third Cd site, Cd(2) is bonded in a 14-coordinate geometry to two equivalent Ba(1), four equivalent Cd(3), and eight equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCd11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   9.386
_cell_length_c   9.386
_cell_angle_alpha   80.144
_cell_angle_beta   65.490
_cell_angle_gamma   65.490
_symmetry_Int_Tables_number   1
_cell_volume   567.080
_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
  Ba  Ba0  1  0.625  0.750  0.250  1.0
  Ba  Ba1  1  0.375  0.250  0.750  1.0
  Cd  Cd2  1  0.868  0.334  0.077  1.0
  Cd  Cd3  1  0.278  0.166  0.424  1.0
  Cd  Cd4  1  0.125  0.750  0.250  1.0
  Cd  Cd5  1  0.875  0.250  0.750  1.0
  Cd  Cd6  1  0.000  0.000  0.000  1.0
  Cd  Cd7  1  0.500  0.500  0.000  1.0
  Cd  Cd8  1  0.000  0.000  0.500  1.0
  Cd  Cd9  1  0.000  0.500  0.500  1.0
  Cd  Cd10  1  0.278  0.924  0.666  1.0
  Cd  Cd11  1  0.444  0.834  0.923  1.0
  Cd  Cd12  1  0.202  0.666  0.577  1.0
  Cd  Cd13  1  0.868  0.577  0.834  1.0
  Cd  Cd14  1  0.798  0.923  0.834  1.0
  Cd  Cd15  1  0.556  0.577  0.666  1.0
  Cd  Cd16  1  0.722  0.834  0.576  1.0
  Cd  Cd17  1  0.132  0.666  0.923  1.0
  Cd  Cd18  1  0.722  0.076  0.334  1.0
  Cd  Cd19  1  0.556  0.166  0.077  1.0
  Cd  Cd20  1  0.798  0.334  0.423  1.0
  Cd  Cd21  1  0.132  0.423  0.166  1.0
  Cd  Cd22  1  0.202  0.077  0.166  1.0
  Cd  Cd23  1  0.444  0.423  0.334  1.0
[/CIF]
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