The material 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 to one O(5), two equivalent O(1), and three equivalent O(2) atoms to form distorted edge-sharing BaO6 octahedra. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), two equivalent O(5), 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(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) 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(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one B(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(2) and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.266
_cell_length_b   10.727
_cell_length_c   13.304
_cell_angle_alpha   74.798
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.444
_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  0.723  0.577  0.090  1.0
  Ba  Ba1  1  0.253  0.900  0.139  1.0
  Ba  Ba2  1  0.753  0.100  0.361  1.0
  Ba  Ba3  1  0.223  0.423  0.410  1.0
  Ba  Ba4  1  0.777  0.577  0.590  1.0
  Ba  Ba5  1  0.247  0.900  0.639  1.0
  Ba  Ba6  1  0.747  0.100  0.861  1.0
  Ba  Ba7  1  0.277  0.423  0.910  1.0
  B  B8  1  0.836  0.177  0.071  1.0
  B  B9  1  0.176  0.297  0.184  1.0
  B  B10  1  0.676  0.703  0.316  1.0
  B  B11  1  0.336  0.823  0.429  1.0
  B  B12  1  0.664  0.177  0.571  1.0
  B  B13  1  0.324  0.297  0.684  1.0
  B  B14  1  0.824  0.703  0.816  1.0
  B  B15  1  0.164  0.823  0.929  1.0
  O  O16  1  0.220  0.724  0.015  1.0
  O  O17  1  0.216  0.413  0.114  1.0
  O  O18  1  0.014  0.193  0.158  1.0
  O  O19  1  0.743  0.053  0.079  1.0
  O  O20  1  0.770  0.731  0.214  1.0
  O  O21  1  0.270  0.269  0.286  1.0
  O  O22  1  0.514  0.807  0.342  1.0
  O  O23  1  0.716  0.587  0.386  1.0
  O  O24  1  0.720  0.276  0.485  1.0
  O  O25  1  0.243  0.947  0.421  1.0
  O  O26  1  0.280  0.724  0.515  1.0
  O  O27  1  0.284  0.413  0.614  1.0
  O  O28  1  0.486  0.193  0.658  1.0
  O  O29  1  0.757  0.053  0.579  1.0
  O  O30  1  0.730  0.731  0.714  1.0
  O  O31  1  0.230  0.269  0.786  1.0
  O  O32  1  0.986  0.807  0.842  1.0
  O  O33  1  0.784  0.587  0.886  1.0
  O  O34  1  0.780  0.276  0.985  1.0
  O  O35  1  0.257  0.947  0.921  1.0
[/CIF]
.
The material 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 to one O(5), two equivalent O(1), and three equivalent O(2) atoms to form distorted edge-sharing BaO6 octahedra. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), two equivalent O(5), 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(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) 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(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one B(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(2) and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2B2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.266
_cell_length_b   10.727
_cell_length_c   13.304
_cell_angle_alpha   74.798
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.444
_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  0.723  0.577  0.090  1.0
  Ba  Ba1  1  0.253  0.900  0.139  1.0
  Ba  Ba2  1  0.753  0.100  0.361  1.0
  Ba  Ba3  1  0.223  0.423  0.410  1.0
  Ba  Ba4  1  0.777  0.577  0.590  1.0
  Ba  Ba5  1  0.247  0.900  0.639  1.0
  Ba  Ba6  1  0.747  0.100  0.861  1.0
  Ba  Ba7  1  0.277  0.423  0.910  1.0
  B  B8  1  0.836  0.177  0.071  1.0
  B  B9  1  0.176  0.297  0.184  1.0
  B  B10  1  0.676  0.703  0.316  1.0
  B  B11  1  0.336  0.823  0.429  1.0
  B  B12  1  0.664  0.177  0.571  1.0
  B  B13  1  0.324  0.297  0.684  1.0
  B  B14  1  0.824  0.703  0.816  1.0
  B  B15  1  0.164  0.823  0.929  1.0
  O  O16  1  0.220  0.724  0.015  1.0
  O  O17  1  0.216  0.413  0.114  1.0
  O  O18  1  0.014  0.193  0.158  1.0
  O  O19  1  0.743  0.053  0.079  1.0
  O  O20  1  0.770  0.731  0.214  1.0
  O  O21  1  0.270  0.269  0.286  1.0
  O  O22  1  0.514  0.807  0.342  1.0
  O  O23  1  0.716  0.587  0.386  1.0
  O  O24  1  0.720  0.276  0.485  1.0
  O  O25  1  0.243  0.947  0.421  1.0
  O  O26  1  0.280  0.724  0.515  1.0
  O  O27  1  0.284  0.413  0.614  1.0
  O  O28  1  0.486  0.193  0.658  1.0
  O  O29  1  0.757  0.053  0.579  1.0
  O  O30  1  0.730  0.731  0.714  1.0
  O  O31  1  0.230  0.269  0.786  1.0
  O  O32  1  0.986  0.807  0.842  1.0
  O  O33  1  0.784  0.587  0.886  1.0
  O  O34  1  0.780  0.276  0.985  1.0
  O  O35  1  0.257  0.947  0.921  1.0
[/CIF]
.