The crystal structure described by Cd4B6O13 crystallizes in the cubic I-43m space group. Cd(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. B(1) is bonded to four equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cd(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to four equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4B6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.834
_cell_length_b   6.834
_cell_length_c   6.834
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   245.740
_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
  Cd  Cd0  1  0.682  0.000  0.000  1.0
  Cd  Cd1  1  0.318  0.318  0.318  1.0
  Cd  Cd2  1  0.000  0.682  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.682  1.0
  B  B4  1  0.750  0.500  0.250  1.0
  B  B5  1  0.750  0.250  0.500  1.0
  B  B6  1  0.500  0.250  0.750  1.0
  B  B7  1  0.500  0.750  0.250  1.0
  B  B8  1  0.250  0.750  0.500  1.0
  B  B9  1  0.250  0.500  0.750  1.0
  O  O10  1  0.707  0.000  0.414  1.0
  O  O11  1  0.707  0.414  0.000  1.0
  O  O12  1  0.707  0.293  0.293  1.0
  O  O13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.414  0.707  0.000  1.0
  O  O15  1  0.414  0.000  0.707  1.0
  O  O16  1  0.586  0.293  0.586  1.0
  O  O17  1  0.586  0.586  0.293  1.0
  O  O18  1  0.293  0.293  0.707  1.0
  O  O19  1  0.293  0.707  0.293  1.0
  O  O20  1  0.293  0.586  0.586  1.0
  O  O21  1  0.000  0.707  0.414  1.0
  O  O22  1  0.000  0.414  0.707  1.0
[/CIF]
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The crystal structure described by Cd4B6O13 crystallizes in the cubic I-43m space group. Cd(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. B(1) is bonded to four equivalent O(1) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cd(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a tetrahedral geometry to four equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd4B6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.834
_cell_length_b   6.834
_cell_length_c   6.834
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   245.740
_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
  Cd  Cd0  1  0.682  0.000  0.000  1.0
  Cd  Cd1  1  0.318  0.318  0.318  1.0
  Cd  Cd2  1  0.000  0.682  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.682  1.0
  B  B4  1  0.750  0.500  0.250  1.0
  B  B5  1  0.750  0.250  0.500  1.0
  B  B6  1  0.500  0.250  0.750  1.0
  B  B7  1  0.500  0.750  0.250  1.0
  B  B8  1  0.250  0.750  0.500  1.0
  B  B9  1  0.250  0.500  0.750  1.0
  O  O10  1  0.707  0.000  0.414  1.0
  O  O11  1  0.707  0.414  0.000  1.0
  O  O12  1  0.707  0.293  0.293  1.0
  O  O13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.414  0.707  0.000  1.0
  O  O15  1  0.414  0.000  0.707  1.0
  O  O16  1  0.586  0.293  0.586  1.0
  O  O17  1  0.586  0.586  0.293  1.0
  O  O18  1  0.293  0.293  0.707  1.0
  O  O19  1  0.293  0.707  0.293  1.0
  O  O20  1  0.293  0.586  0.586  1.0
  O  O21  1  0.000  0.707  0.414  1.0
  O  O22  1  0.000  0.414  0.707  1.0
[/CIF]
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