The material described by Cs(BO)6(BO)6 is Indium-derived structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron oxide molecules and three Cs(BO)6 clusters. In each Cs(BO)6 cluster, Cs(1) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. B(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a single-bond geometry to one Cs(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(BO)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.821
_cell_length_b   7.821
_cell_length_c   7.821
_cell_angle_alpha   73.234
_cell_angle_beta   73.234
_cell_angle_gamma   73.234
_symmetry_Int_Tables_number   1
_cell_volume   427.436
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.302  0.513  0.302  1.0
  B  B2  1  0.302  0.302  0.513  1.0
  B  B3  1  0.513  0.302  0.302  1.0
  B  B4  1  0.698  0.487  0.698  1.0
  B  B5  1  0.698  0.698  0.487  1.0
  B  B6  1  0.487  0.698  0.698  1.0
  B  B7  1  0.460  0.790  0.460  1.0
  B  B8  1  0.460  0.460  0.790  1.0
  B  B9  1  0.790  0.460  0.460  1.0
  B  B10  1  0.540  0.210  0.540  1.0
  B  B11  1  0.540  0.540  0.210  1.0
  B  B12  1  0.210  0.540  0.540  1.0
  O  O13  1  0.195  0.590  0.195  1.0
  O  O14  1  0.195  0.195  0.590  1.0
  O  O15  1  0.590  0.195  0.195  1.0
  O  O16  1  0.805  0.410  0.805  1.0
  O  O17  1  0.805  0.805  0.410  1.0
  O  O18  1  0.410  0.805  0.805  1.0
  O  O19  1  0.360  0.895  0.360  1.0
  O  O20  1  0.360  0.360  0.895  1.0
  O  O21  1  0.895  0.360  0.360  1.0
  O  O22  1  0.640  0.105  0.640  1.0
  O  O23  1  0.640  0.640  0.105  1.0
  O  O24  1  0.105  0.640  0.640  1.0
[/CIF]
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The material described by Cs(BO)6(BO)6 is Indium-derived structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron oxide molecules and three Cs(BO)6 clusters. In each Cs(BO)6 cluster, Cs(1) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. B(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a single-bond geometry to one Cs(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs(BO)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.821
_cell_length_b   7.821
_cell_length_c   7.821
_cell_angle_alpha   73.234
_cell_angle_beta   73.234
_cell_angle_gamma   73.234
_symmetry_Int_Tables_number   1
_cell_volume   427.436
_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
  Cs  Cs0  1  0.000  0.000  0.000  1.0
  B  B1  1  0.302  0.513  0.302  1.0
  B  B2  1  0.302  0.302  0.513  1.0
  B  B3  1  0.513  0.302  0.302  1.0
  B  B4  1  0.698  0.487  0.698  1.0
  B  B5  1  0.698  0.698  0.487  1.0
  B  B6  1  0.487  0.698  0.698  1.0
  B  B7  1  0.460  0.790  0.460  1.0
  B  B8  1  0.460  0.460  0.790  1.0
  B  B9  1  0.790  0.460  0.460  1.0
  B  B10  1  0.540  0.210  0.540  1.0
  B  B11  1  0.540  0.540  0.210  1.0
  B  B12  1  0.210  0.540  0.540  1.0
  O  O13  1  0.195  0.590  0.195  1.0
  O  O14  1  0.195  0.195  0.590  1.0
  O  O15  1  0.590  0.195  0.195  1.0
  O  O16  1  0.805  0.410  0.805  1.0
  O  O17  1  0.805  0.805  0.410  1.0
  O  O18  1  0.410  0.805  0.805  1.0
  O  O19  1  0.360  0.895  0.360  1.0
  O  O20  1  0.360  0.360  0.895  1.0
  O  O21  1  0.895  0.360  0.360  1.0
  O  O22  1  0.640  0.105  0.640  1.0
  O  O23  1  0.640  0.640  0.105  1.0
  O  O24  1  0.105  0.640  0.640  1.0
[/CIF]
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