The structure described by K3B12H12I crystallizes in the trigonal R-3m space group. K(1) is bonded in a 10-coordinate geometry to four equivalent H(1), four equivalent H(2), and two equivalent I(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent K(1) and one B(2) atom. I(1) is bonded to six equivalent K(1) atoms to form corner-sharing IK6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K3B12H12I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.066
_cell_length_b   7.066
_cell_length_c   7.066
_cell_angle_alpha   93.832
_cell_angle_beta   93.832
_cell_angle_gamma   93.832
_symmetry_Int_Tables_number   1
_cell_volume   350.359
_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
  K  K0  1  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.500  0.000  0.500  1.0
  B  B3  1  0.121  0.842  0.121  1.0
  B  B4  1  0.879  0.158  0.879  1.0
  B  B5  1  0.158  0.879  0.879  1.0
  B  B6  1  0.879  0.879  0.158  1.0
  B  B7  1  0.061  0.061  0.233  1.0
  B  B8  1  0.233  0.061  0.061  1.0
  B  B9  1  0.061  0.233  0.061  1.0
  B  B10  1  0.939  0.767  0.939  1.0
  B  B11  1  0.939  0.939  0.767  1.0
  B  B12  1  0.767  0.939  0.939  1.0
  B  B13  1  0.121  0.121  0.842  1.0
  B  B14  1  0.842  0.121  0.121  1.0
  H  H15  1  0.792  0.792  0.270  1.0
  H  H16  1  0.270  0.792  0.792  1.0
  H  H17  1  0.792  0.270  0.792  1.0
  H  H18  1  0.208  0.730  0.208  1.0
  H  H19  1  0.896  0.896  0.602  1.0
  H  H20  1  0.602  0.896  0.896  1.0
  H  H21  1  0.896  0.602  0.896  1.0
  H  H22  1  0.104  0.398  0.104  1.0
  H  H23  1  0.104  0.104  0.398  1.0
  H  H24  1  0.398  0.104  0.104  1.0
  H  H25  1  0.208  0.208  0.730  1.0
  H  H26  1  0.730  0.208  0.208  1.0
  I  I27  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by K3B12H12I crystallizes in the trigonal R-3m space group. K(1) is bonded in a 10-coordinate geometry to four equivalent H(1), four equivalent H(2), and two equivalent I(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent K(1) and one B(2) atom. I(1) is bonded to six equivalent K(1) atoms to form corner-sharing IK6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K3B12H12I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.066
_cell_length_b   7.066
_cell_length_c   7.066
_cell_angle_alpha   93.832
_cell_angle_beta   93.832
_cell_angle_gamma   93.832
_symmetry_Int_Tables_number   1
_cell_volume   350.359
_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
  K  K0  1  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.500  0.000  0.500  1.0
  B  B3  1  0.121  0.842  0.121  1.0
  B  B4  1  0.879  0.158  0.879  1.0
  B  B5  1  0.158  0.879  0.879  1.0
  B  B6  1  0.879  0.879  0.158  1.0
  B  B7  1  0.061  0.061  0.233  1.0
  B  B8  1  0.233  0.061  0.061  1.0
  B  B9  1  0.061  0.233  0.061  1.0
  B  B10  1  0.939  0.767  0.939  1.0
  B  B11  1  0.939  0.939  0.767  1.0
  B  B12  1  0.767  0.939  0.939  1.0
  B  B13  1  0.121  0.121  0.842  1.0
  B  B14  1  0.842  0.121  0.121  1.0
  H  H15  1  0.792  0.792  0.270  1.0
  H  H16  1  0.270  0.792  0.792  1.0
  H  H17  1  0.792  0.270  0.792  1.0
  H  H18  1  0.208  0.730  0.208  1.0
  H  H19  1  0.896  0.896  0.602  1.0
  H  H20  1  0.602  0.896  0.896  1.0
  H  H21  1  0.896  0.602  0.896  1.0
  H  H22  1  0.104  0.398  0.104  1.0
  H  H23  1  0.104  0.104  0.398  1.0
  H  H24  1  0.398  0.104  0.104  1.0
  H  H25  1  0.208  0.208  0.730  1.0
  H  H26  1  0.730  0.208  0.208  1.0
  I  I27  1  0.500  0.500  0.500  1.0
[/CIF]
.