The crystal structure described by KBO2 crystallizes in the trigonal R-3c space group. K(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 KO7 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 K(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to five equivalent K(1) and one B(1) atom. is represented by the CIF card [CIF]
data_KBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   110.826
_cell_angle_beta   110.826
_cell_angle_gamma   110.826
_symmetry_Int_Tables_number   1
_cell_volume   338.755
_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
  K  K0  1  0.312  0.750  0.188  1.0
  K  K1  1  0.188  0.312  0.750  1.0
  K  K2  1  0.750  0.188  0.312  1.0
  K  K3  1  0.688  0.250  0.812  1.0
  K  K4  1  0.812  0.688  0.250  1.0
  K  K5  1  0.250  0.812  0.688  1.0
  B  B6  1  0.363  0.250  0.137  1.0
  B  B7  1  0.637  0.750  0.863  1.0
  B  B8  1  0.863  0.637  0.750  1.0
  B  B9  1  0.750  0.863  0.637  1.0
  B  B10  1  0.137  0.363  0.250  1.0
  B  B11  1  0.250  0.137  0.363  1.0
  O  O12  1  0.250  0.358  0.142  1.0
  O  O13  1  0.358  0.142  0.250  1.0
  O  O14  1  0.858  0.750  0.642  1.0
  O  O15  1  0.142  0.250  0.358  1.0
  O  O16  1  0.750  0.642  0.858  1.0
  O  O17  1  0.642  0.858  0.750  1.0
  O  O18  1  0.250  0.033  0.467  1.0
  O  O19  1  0.033  0.467  0.250  1.0
  O  O20  1  0.467  0.250  0.033  1.0
  O  O21  1  0.750  0.967  0.533  1.0
  O  O22  1  0.967  0.533  0.750  1.0
  O  O23  1  0.533  0.750  0.967  1.0
[/CIF]
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The crystal structure described by KBO2 crystallizes in the trigonal R-3c space group. K(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 KO7 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 K(1) and two equivalent B(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to five equivalent K(1) and one B(1) atom. is represented by the CIF card [CIF]
data_KBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   110.826
_cell_angle_beta   110.826
_cell_angle_gamma   110.826
_symmetry_Int_Tables_number   1
_cell_volume   338.755
_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
  K  K0  1  0.312  0.750  0.188  1.0
  K  K1  1  0.188  0.312  0.750  1.0
  K  K2  1  0.750  0.188  0.312  1.0
  K  K3  1  0.688  0.250  0.812  1.0
  K  K4  1  0.812  0.688  0.250  1.0
  K  K5  1  0.250  0.812  0.688  1.0
  B  B6  1  0.363  0.250  0.137  1.0
  B  B7  1  0.637  0.750  0.863  1.0
  B  B8  1  0.863  0.637  0.750  1.0
  B  B9  1  0.750  0.863  0.637  1.0
  B  B10  1  0.137  0.363  0.250  1.0
  B  B11  1  0.250  0.137  0.363  1.0
  O  O12  1  0.250  0.358  0.142  1.0
  O  O13  1  0.358  0.142  0.250  1.0
  O  O14  1  0.858  0.750  0.642  1.0
  O  O15  1  0.142  0.250  0.358  1.0
  O  O16  1  0.750  0.642  0.858  1.0
  O  O17  1  0.642  0.858  0.750  1.0
  O  O18  1  0.250  0.033  0.467  1.0
  O  O19  1  0.033  0.467  0.250  1.0
  O  O20  1  0.467  0.250  0.033  1.0
  O  O21  1  0.750  0.967  0.533  1.0
  O  O22  1  0.967  0.533  0.750  1.0
  O  O23  1  0.533  0.750  0.967  1.0
[/CIF]
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