The structure described by BaB2O4 crystallizes in the trigonal R3c space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), three equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and two equivalent B(2) atoms. In the second O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one B(1) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one B(2) atom. is represented by the CIF file [CIF]
data_Ba(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.398
_cell_length_b   8.398
_cell_length_c   8.398
_cell_angle_alpha   97.037
_cell_angle_beta   97.037
_cell_angle_gamma   97.037
_symmetry_Int_Tables_number   1
_cell_volume   577.624
_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  0.258  0.621  0.975  1.0
  Ba  Ba1  1  0.621  0.975  0.258  1.0
  Ba  Ba2  1  0.975  0.258  0.621  1.0
  Ba  Ba3  1  0.475  0.121  0.758  1.0
  Ba  Ba4  1  0.121  0.758  0.475  1.0
  Ba  Ba5  1  0.758  0.475  0.121  1.0
  B  B6  1  0.123  0.951  0.906  1.0
  B  B7  1  0.951  0.906  0.123  1.0
  B  B8  1  0.906  0.123  0.951  1.0
  B  B9  1  0.406  0.451  0.623  1.0
  B  B10  1  0.451  0.623  0.406  1.0
  B  B11  1  0.623  0.406  0.451  1.0
  B  B12  1  0.655  0.733  0.879  1.0
  B  B13  1  0.879  0.655  0.733  1.0
  B  B14  1  0.733  0.879  0.655  1.0
  B  B15  1  0.233  0.155  0.379  1.0
  B  B16  1  0.379  0.233  0.155  1.0
  B  B17  1  0.155  0.379  0.233  1.0
  O  O18  1  0.578  0.537  0.372  1.0
  O  O19  1  0.372  0.578  0.537  1.0
  O  O20  1  0.537  0.372  0.578  1.0
  O  O21  1  0.037  0.078  0.872  1.0
  O  O22  1  0.872  0.037  0.078  1.0
  O  O23  1  0.078  0.872  0.037  1.0
  O  O24  1  0.572  0.715  0.000  1.0
  O  O25  1  0.000  0.572  0.715  1.0
  O  O26  1  0.715  0.000  0.572  1.0
  O  O27  1  0.215  0.072  0.500  1.0
  O  O28  1  0.500  0.215  0.072  1.0
  O  O29  1  0.072  0.500  0.215  1.0
  O  O30  1  0.776  0.635  0.850  1.0
  O  O31  1  0.850  0.776  0.635  1.0
  O  O32  1  0.635  0.850  0.776  1.0
  O  O33  1  0.135  0.276  0.350  1.0
  O  O34  1  0.350  0.135  0.276  1.0
  O  O35  1  0.276  0.350  0.135  1.0
  O  O36  1  0.736  0.324  0.403  1.0
  O  O37  1  0.403  0.736  0.324  1.0
  O  O38  1  0.324  0.403  0.736  1.0
  O  O39  1  0.824  0.236  0.903  1.0
  O  O40  1  0.903  0.824  0.236  1.0
  O  O41  1  0.236  0.903  0.824  1.0
[/CIF]
.
The structure described by BaB2O4 crystallizes in the trigonal R3c space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), three equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and two equivalent B(2) atoms. In the second O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one B(1) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and two equivalent B(1) atoms. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one B(2) atom. is represented by the CIF file [CIF]
data_Ba(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.398
_cell_length_b   8.398
_cell_length_c   8.398
_cell_angle_alpha   97.037
_cell_angle_beta   97.037
_cell_angle_gamma   97.037
_symmetry_Int_Tables_number   1
_cell_volume   577.624
_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  0.258  0.621  0.975  1.0
  Ba  Ba1  1  0.621  0.975  0.258  1.0
  Ba  Ba2  1  0.975  0.258  0.621  1.0
  Ba  Ba3  1  0.475  0.121  0.758  1.0
  Ba  Ba4  1  0.121  0.758  0.475  1.0
  Ba  Ba5  1  0.758  0.475  0.121  1.0
  B  B6  1  0.123  0.951  0.906  1.0
  B  B7  1  0.951  0.906  0.123  1.0
  B  B8  1  0.906  0.123  0.951  1.0
  B  B9  1  0.406  0.451  0.623  1.0
  B  B10  1  0.451  0.623  0.406  1.0
  B  B11  1  0.623  0.406  0.451  1.0
  B  B12  1  0.655  0.733  0.879  1.0
  B  B13  1  0.879  0.655  0.733  1.0
  B  B14  1  0.733  0.879  0.655  1.0
  B  B15  1  0.233  0.155  0.379  1.0
  B  B16  1  0.379  0.233  0.155  1.0
  B  B17  1  0.155  0.379  0.233  1.0
  O  O18  1  0.578  0.537  0.372  1.0
  O  O19  1  0.372  0.578  0.537  1.0
  O  O20  1  0.537  0.372  0.578  1.0
  O  O21  1  0.037  0.078  0.872  1.0
  O  O22  1  0.872  0.037  0.078  1.0
  O  O23  1  0.078  0.872  0.037  1.0
  O  O24  1  0.572  0.715  0.000  1.0
  O  O25  1  0.000  0.572  0.715  1.0
  O  O26  1  0.715  0.000  0.572  1.0
  O  O27  1  0.215  0.072  0.500  1.0
  O  O28  1  0.500  0.215  0.072  1.0
  O  O29  1  0.072  0.500  0.215  1.0
  O  O30  1  0.776  0.635  0.850  1.0
  O  O31  1  0.850  0.776  0.635  1.0
  O  O32  1  0.635  0.850  0.776  1.0
  O  O33  1  0.135  0.276  0.350  1.0
  O  O34  1  0.350  0.135  0.276  1.0
  O  O35  1  0.276  0.350  0.135  1.0
  O  O36  1  0.736  0.324  0.403  1.0
  O  O37  1  0.403  0.736  0.324  1.0
  O  O38  1  0.324  0.403  0.736  1.0
  O  O39  1  0.824  0.236  0.903  1.0
  O  O40  1  0.903  0.824  0.236  1.0
  O  O41  1  0.236  0.903  0.824  1.0
[/CIF]
.