The compound described by CsBO2 crystallizes in the trigonal R-3c space group. Cs(1) is bonded to two equivalent O(1) and five equivalent O(2) atoms to form a mixture of distorted corner, edge, and face-sharing CsO7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to five equivalent Cs(1) and one B(1) atom. is represented by the CIF card [CIF]
data_CsBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.380
_cell_length_b   8.380
_cell_length_c   8.380
_cell_angle_alpha   109.475
_cell_angle_beta   109.475
_cell_angle_gamma   109.475
_symmetry_Int_Tables_number   1
_cell_volume   453.007
_cell_formula_units_Z   6
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  0.250  0.809  0.691  1.0
  Cs  Cs1  1  0.809  0.691  0.250  1.0
  Cs  Cs2  1  0.750  0.191  0.309  1.0
  Cs  Cs3  1  0.309  0.750  0.191  1.0
  Cs  Cs4  1  0.691  0.250  0.809  1.0
  Cs  Cs5  1  0.191  0.309  0.750  1.0
  B  B6  1  0.144  0.356  0.250  1.0
  B  B7  1  0.644  0.750  0.856  1.0
  B  B8  1  0.750  0.856  0.644  1.0
  B  B9  1  0.856  0.644  0.750  1.0
  B  B10  1  0.250  0.144  0.356  1.0
  B  B11  1  0.356  0.250  0.144  1.0
  O  O12  1  0.250  0.351  0.149  1.0
  O  O13  1  0.649  0.851  0.750  1.0
  O  O14  1  0.750  0.649  0.851  1.0
  O  O15  1  0.750  0.952  0.548  1.0
  O  O16  1  0.048  0.452  0.250  1.0
  O  O17  1  0.452  0.250  0.048  1.0
  O  O18  1  0.952  0.548  0.750  1.0
  O  O19  1  0.351  0.149  0.250  1.0
  O  O20  1  0.851  0.750  0.649  1.0
  O  O21  1  0.149  0.250  0.351  1.0
  O  O22  1  0.250  0.048  0.452  1.0
  O  O23  1  0.548  0.750  0.952  1.0
[/CIF]
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The compound described by CsBO2 crystallizes in the trigonal R-3c space group. Cs(1) is bonded to two equivalent O(1) and five equivalent O(2) atoms to form a mixture of distorted corner, edge, and face-sharing CsO7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to five equivalent Cs(1) and one B(1) atom. is represented by the CIF card [CIF]
data_CsBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.380
_cell_length_b   8.380
_cell_length_c   8.380
_cell_angle_alpha   109.475
_cell_angle_beta   109.475
_cell_angle_gamma   109.475
_symmetry_Int_Tables_number   1
_cell_volume   453.007
_cell_formula_units_Z   6
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  0.250  0.809  0.691  1.0
  Cs  Cs1  1  0.809  0.691  0.250  1.0
  Cs  Cs2  1  0.750  0.191  0.309  1.0
  Cs  Cs3  1  0.309  0.750  0.191  1.0
  Cs  Cs4  1  0.691  0.250  0.809  1.0
  Cs  Cs5  1  0.191  0.309  0.750  1.0
  B  B6  1  0.144  0.356  0.250  1.0
  B  B7  1  0.644  0.750  0.856  1.0
  B  B8  1  0.750  0.856  0.644  1.0
  B  B9  1  0.856  0.644  0.750  1.0
  B  B10  1  0.250  0.144  0.356  1.0
  B  B11  1  0.356  0.250  0.144  1.0
  O  O12  1  0.250  0.351  0.149  1.0
  O  O13  1  0.649  0.851  0.750  1.0
  O  O14  1  0.750  0.649  0.851  1.0
  O  O15  1  0.750  0.952  0.548  1.0
  O  O16  1  0.048  0.452  0.250  1.0
  O  O17  1  0.452  0.250  0.048  1.0
  O  O18  1  0.952  0.548  0.750  1.0
  O  O19  1  0.351  0.149  0.250  1.0
  O  O20  1  0.851  0.750  0.649  1.0
  O  O21  1  0.149  0.250  0.351  1.0
  O  O22  1  0.250  0.048  0.452  1.0
  O  O23  1  0.548  0.750  0.952  1.0
[/CIF]
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