The material described by Rb3B12H12Cl crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 10-coordinate geometry to four equivalent H(1), four equivalent H(2), and two equivalent Cl(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 Rb(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one B(2) atom. Cl(1) is bonded to six equivalent Rb(1) atoms to form corner-sharing ClRb6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Rb3B12H12Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.058
_cell_length_b   7.058
_cell_length_c   7.058
_cell_angle_alpha   92.846
_cell_angle_beta   92.846
_cell_angle_gamma   92.846
_symmetry_Int_Tables_number   1
_cell_volume   350.266
_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
  Rb  Rb0  1  0.000  0.500  0.500  1.0
  Rb  Rb1  1  0.500  0.000  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  B  B3  1  0.121  0.840  0.121  1.0
  B  B4  1  0.879  0.160  0.879  1.0
  B  B5  1  0.160  0.879  0.879  1.0
  B  B6  1  0.879  0.879  0.160  1.0
  B  B7  1  0.058  0.058  0.232  1.0
  B  B8  1  0.232  0.058  0.058  1.0
  B  B9  1  0.058  0.232  0.058  1.0
  B  B10  1  0.942  0.768  0.942  1.0
  B  B11  1  0.942  0.942  0.768  1.0
  B  B12  1  0.768  0.942  0.942  1.0
  B  B13  1  0.121  0.121  0.840  1.0
  B  B14  1  0.840  0.121  0.121  1.0
  H  H15  1  0.791  0.791  0.272  1.0
  H  H16  1  0.272  0.791  0.791  1.0
  H  H17  1  0.791  0.272  0.791  1.0
  H  H18  1  0.209  0.728  0.209  1.0
  H  H19  1  0.901  0.901  0.604  1.0
  H  H20  1  0.604  0.901  0.901  1.0
  H  H21  1  0.901  0.604  0.901  1.0
  H  H22  1  0.099  0.396  0.099  1.0
  H  H23  1  0.099  0.099  0.396  1.0
  H  H24  1  0.396  0.099  0.099  1.0
  H  H25  1  0.209  0.209  0.728  1.0
  H  H26  1  0.728  0.209  0.209  1.0
  Cl  Cl27  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Rb3B12H12Cl crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 10-coordinate geometry to four equivalent H(1), four equivalent H(2), and two equivalent Cl(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 Rb(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Rb(1) and one B(2) atom. Cl(1) is bonded to six equivalent Rb(1) atoms to form corner-sharing ClRb6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Rb3B12H12Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.058
_cell_length_b   7.058
_cell_length_c   7.058
_cell_angle_alpha   92.846
_cell_angle_beta   92.846
_cell_angle_gamma   92.846
_symmetry_Int_Tables_number   1
_cell_volume   350.266
_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
  Rb  Rb0  1  0.000  0.500  0.500  1.0
  Rb  Rb1  1  0.500  0.000  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  B  B3  1  0.121  0.840  0.121  1.0
  B  B4  1  0.879  0.160  0.879  1.0
  B  B5  1  0.160  0.879  0.879  1.0
  B  B6  1  0.879  0.879  0.160  1.0
  B  B7  1  0.058  0.058  0.232  1.0
  B  B8  1  0.232  0.058  0.058  1.0
  B  B9  1  0.058  0.232  0.058  1.0
  B  B10  1  0.942  0.768  0.942  1.0
  B  B11  1  0.942  0.942  0.768  1.0
  B  B12  1  0.768  0.942  0.942  1.0
  B  B13  1  0.121  0.121  0.840  1.0
  B  B14  1  0.840  0.121  0.121  1.0
  H  H15  1  0.791  0.791  0.272  1.0
  H  H16  1  0.272  0.791  0.791  1.0
  H  H17  1  0.791  0.272  0.791  1.0
  H  H18  1  0.209  0.728  0.209  1.0
  H  H19  1  0.901  0.901  0.604  1.0
  H  H20  1  0.604  0.901  0.901  1.0
  H  H21  1  0.901  0.604  0.901  1.0
  H  H22  1  0.099  0.396  0.099  1.0
  H  H23  1  0.099  0.099  0.396  1.0
  H  H24  1  0.396  0.099  0.099  1.0
  H  H25  1  0.209  0.209  0.728  1.0
  H  H26  1  0.728  0.209  0.209  1.0
  Cl  Cl27  1  0.500  0.500  0.500  1.0
[/CIF]
.