The crystal structure described by Ba2B2O5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two 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(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one B(1), and one B(2) atom. In the second 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 third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   8.498
_cell_length_c   12.280
_cell_angle_alpha   87.794
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   577.672
_cell_formula_units_Z   4
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  0.034  0.615  0.134  1.0
  Ba  Ba1  1  0.080  0.120  0.153  1.0
  Ba  Ba2  1  0.580  0.880  0.347  1.0
  Ba  Ba3  1  0.534  0.385  0.366  1.0
  Ba  Ba4  1  0.466  0.615  0.634  1.0
  Ba  Ba5  1  0.420  0.120  0.653  1.0
  Ba  Ba6  1  0.920  0.880  0.847  1.0
  Ba  Ba7  1  0.966  0.385  0.866  1.0
  B  B8  1  0.536  0.340  0.078  1.0
  B  B9  1  0.561  0.834  0.095  1.0
  B  B10  1  0.061  0.166  0.405  1.0
  B  B11  1  0.036  0.660  0.422  1.0
  B  B12  1  0.964  0.340  0.578  1.0
  B  B13  1  0.939  0.834  0.595  1.0
  B  B14  1  0.439  0.166  0.905  1.0
  B  B15  1  0.464  0.660  0.922  1.0
  O  O16  1  0.399  0.258  0.998  1.0
  O  O17  1  0.780  0.350  0.073  1.0
  O  O18  1  0.769  0.890  0.139  1.0
  O  O19  1  0.342  0.854  0.141  1.0
  O  O20  1  0.393  0.395  0.159  1.0
  O  O21  1  0.893  0.605  0.341  1.0
  O  O22  1  0.842  0.146  0.359  1.0
  O  O23  1  0.269  0.110  0.361  1.0
  O  O24  1  0.280  0.650  0.427  1.0
  O  O25  1  0.101  0.258  0.498  1.0
  O  O26  1  0.899  0.742  0.502  1.0
  O  O27  1  0.720  0.350  0.573  1.0
  O  O28  1  0.731  0.890  0.639  1.0
  O  O29  1  0.158  0.854  0.641  1.0
  O  O30  1  0.107  0.395  0.659  1.0
  O  O31  1  0.607  0.605  0.841  1.0
  O  O32  1  0.658  0.146  0.859  1.0
  O  O33  1  0.231  0.110  0.861  1.0
  O  O34  1  0.220  0.650  0.927  1.0
  O  O35  1  0.601  0.742  0.002  1.0
[/CIF]
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The crystal structure described by Ba2B2O5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two 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(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one B(1), and one B(2) atom. In the second 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 third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.540
_cell_length_b   8.498
_cell_length_c   12.280
_cell_angle_alpha   87.794
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   577.672
_cell_formula_units_Z   4
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  0.034  0.615  0.134  1.0
  Ba  Ba1  1  0.080  0.120  0.153  1.0
  Ba  Ba2  1  0.580  0.880  0.347  1.0
  Ba  Ba3  1  0.534  0.385  0.366  1.0
  Ba  Ba4  1  0.466  0.615  0.634  1.0
  Ba  Ba5  1  0.420  0.120  0.653  1.0
  Ba  Ba6  1  0.920  0.880  0.847  1.0
  Ba  Ba7  1  0.966  0.385  0.866  1.0
  B  B8  1  0.536  0.340  0.078  1.0
  B  B9  1  0.561  0.834  0.095  1.0
  B  B10  1  0.061  0.166  0.405  1.0
  B  B11  1  0.036  0.660  0.422  1.0
  B  B12  1  0.964  0.340  0.578  1.0
  B  B13  1  0.939  0.834  0.595  1.0
  B  B14  1  0.439  0.166  0.905  1.0
  B  B15  1  0.464  0.660  0.922  1.0
  O  O16  1  0.399  0.258  0.998  1.0
  O  O17  1  0.780  0.350  0.073  1.0
  O  O18  1  0.769  0.890  0.139  1.0
  O  O19  1  0.342  0.854  0.141  1.0
  O  O20  1  0.393  0.395  0.159  1.0
  O  O21  1  0.893  0.605  0.341  1.0
  O  O22  1  0.842  0.146  0.359  1.0
  O  O23  1  0.269  0.110  0.361  1.0
  O  O24  1  0.280  0.650  0.427  1.0
  O  O25  1  0.101  0.258  0.498  1.0
  O  O26  1  0.899  0.742  0.502  1.0
  O  O27  1  0.720  0.350  0.573  1.0
  O  O28  1  0.731  0.890  0.639  1.0
  O  O29  1  0.158  0.854  0.641  1.0
  O  O30  1  0.107  0.395  0.659  1.0
  O  O31  1  0.607  0.605  0.841  1.0
  O  O32  1  0.658  0.146  0.859  1.0
  O  O33  1  0.231  0.110  0.861  1.0
  O  O34  1  0.220  0.650  0.927  1.0
  O  O35  1  0.601  0.742  0.002  1.0
[/CIF]
.