The structure described by BaB2O4 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(2) atoms. 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(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one B(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ba(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.784
_cell_length_b   13.784
_cell_length_c   13.784
_cell_angle_alpha   30.616
_cell_angle_beta   30.616
_cell_angle_gamma   30.616
_symmetry_Int_Tables_number   1
_cell_volume   602.194
_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
  Ba  Ba0  1  0.850  0.850  0.850  1.0
  Ba  Ba1  1  0.650  0.650  0.650  1.0
  Ba  Ba2  1  0.150  0.150  0.150  1.0
  Ba  Ba3  1  0.350  0.350  0.350  1.0
  Ba  Ba4  1  0.750  0.750  0.750  1.0
  Ba  Ba5  1  0.250  0.250  0.250  1.0
  B  B6  1  0.749  0.504  0.361  1.0
  B  B7  1  0.504  0.361  0.749  1.0
  B  B8  1  0.361  0.749  0.504  1.0
  B  B9  1  0.996  0.751  0.139  1.0
  B  B10  1  0.751  0.139  0.996  1.0
  B  B11  1  0.139  0.996  0.751  1.0
  B  B12  1  0.251  0.496  0.639  1.0
  B  B13  1  0.496  0.639  0.251  1.0
  B  B14  1  0.639  0.251  0.496  1.0
  B  B15  1  0.004  0.249  0.861  1.0
  B  B16  1  0.249  0.861  0.004  1.0
  B  B17  1  0.861  0.004  0.249  1.0
  O  O18  1  0.572  0.711  0.335  1.0
  O  O19  1  0.711  0.335  0.572  1.0
  O  O20  1  0.335  0.572  0.711  1.0
  O  O21  1  0.789  0.928  0.165  1.0
  O  O22  1  0.928  0.165  0.789  1.0
  O  O23  1  0.165  0.789  0.928  1.0
  O  O24  1  0.428  0.289  0.665  1.0
  O  O25  1  0.289  0.665  0.428  1.0
  O  O26  1  0.665  0.428  0.289  1.0
  O  O27  1  0.211  0.072  0.835  1.0
  O  O28  1  0.072  0.835  0.211  1.0
  O  O29  1  0.835  0.211  0.072  1.0
  O  O30  1  0.193  0.941  0.474  1.0
  O  O31  1  0.941  0.474  0.193  1.0
  O  O32  1  0.474  0.193  0.941  1.0
  O  O33  1  0.559  0.307  0.026  1.0
  O  O34  1  0.307  0.026  0.559  1.0
  O  O35  1  0.026  0.559  0.307  1.0
  O  O36  1  0.807  0.059  0.526  1.0
  O  O37  1  0.059  0.526  0.807  1.0
  O  O38  1  0.526  0.807  0.059  1.0
  O  O39  1  0.441  0.693  0.974  1.0
  O  O40  1  0.693  0.974  0.441  1.0
  O  O41  1  0.974  0.441  0.693  1.0
[/CIF]
.
The structure described by BaB2O4 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a distorted pentagonal pyramidal geometry to six equivalent O(2) atoms. 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(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one B(1) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ba(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.784
_cell_length_b   13.784
_cell_length_c   13.784
_cell_angle_alpha   30.616
_cell_angle_beta   30.616
_cell_angle_gamma   30.616
_symmetry_Int_Tables_number   1
_cell_volume   602.194
_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
  Ba  Ba0  1  0.850  0.850  0.850  1.0
  Ba  Ba1  1  0.650  0.650  0.650  1.0
  Ba  Ba2  1  0.150  0.150  0.150  1.0
  Ba  Ba3  1  0.350  0.350  0.350  1.0
  Ba  Ba4  1  0.750  0.750  0.750  1.0
  Ba  Ba5  1  0.250  0.250  0.250  1.0
  B  B6  1  0.749  0.504  0.361  1.0
  B  B7  1  0.504  0.361  0.749  1.0
  B  B8  1  0.361  0.749  0.504  1.0
  B  B9  1  0.996  0.751  0.139  1.0
  B  B10  1  0.751  0.139  0.996  1.0
  B  B11  1  0.139  0.996  0.751  1.0
  B  B12  1  0.251  0.496  0.639  1.0
  B  B13  1  0.496  0.639  0.251  1.0
  B  B14  1  0.639  0.251  0.496  1.0
  B  B15  1  0.004  0.249  0.861  1.0
  B  B16  1  0.249  0.861  0.004  1.0
  B  B17  1  0.861  0.004  0.249  1.0
  O  O18  1  0.572  0.711  0.335  1.0
  O  O19  1  0.711  0.335  0.572  1.0
  O  O20  1  0.335  0.572  0.711  1.0
  O  O21  1  0.789  0.928  0.165  1.0
  O  O22  1  0.928  0.165  0.789  1.0
  O  O23  1  0.165  0.789  0.928  1.0
  O  O24  1  0.428  0.289  0.665  1.0
  O  O25  1  0.289  0.665  0.428  1.0
  O  O26  1  0.665  0.428  0.289  1.0
  O  O27  1  0.211  0.072  0.835  1.0
  O  O28  1  0.072  0.835  0.211  1.0
  O  O29  1  0.835  0.211  0.072  1.0
  O  O30  1  0.193  0.941  0.474  1.0
  O  O31  1  0.941  0.474  0.193  1.0
  O  O32  1  0.474  0.193  0.941  1.0
  O  O33  1  0.559  0.307  0.026  1.0
  O  O34  1  0.307  0.026  0.559  1.0
  O  O35  1  0.026  0.559  0.307  1.0
  O  O36  1  0.807  0.059  0.526  1.0
  O  O37  1  0.059  0.526  0.807  1.0
  O  O38  1  0.526  0.807  0.059  1.0
  O  O39  1  0.441  0.693  0.974  1.0
  O  O40  1  0.693  0.974  0.441  1.0
  O  O41  1  0.974  0.441  0.693  1.0
[/CIF]
.