The material described by BaBe2(BO2)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Be(1) is bonded in a 4-coordinate geometry to one B(1), one O(1), and two equivalent O(2) atoms. B(1) is bonded in a distorted bent 120 degrees geometry to one Be(1), one O(1), and one O(2) atom. 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 Ba(1), one Be(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Be(1) and one B(1) atom. is represented by the CIF file [CIF]
data_BaBe2(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.836
_cell_length_b   8.720
_cell_length_c   8.936
_cell_angle_alpha   58.087
_cell_angle_beta   44.089
_cell_angle_gamma   42.608
_symmetry_Int_Tables_number   1
_cell_volume   471.142
_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  0.375  0.250  0.250  1.0
  Ba  Ba1  1  0.375  0.750  0.250  1.0
  Ba  Ba2  1  0.375  0.250  0.750  1.0
  Ba  Ba3  1  0.875  0.750  0.750  1.0
  Be  Be4  1  0.011  0.242  0.108  1.0
  Be  Be5  1  0.881  0.758  0.108  1.0
  Be  Be6  1  0.747  0.242  0.892  1.0
  Be  Be7  1  0.739  0.258  0.392  1.0
  Be  Be8  1  0.361  0.758  0.892  1.0
  Be  Be9  1  0.869  0.742  0.392  1.0
  Be  Be10  1  0.003  0.258  0.608  1.0
  Be  Be11  1  0.389  0.742  0.608  1.0
  B  B12  1  0.639  0.680  0.296  1.0
  B  B13  1  0.065  0.320  0.296  1.0
  B  B14  1  0.681  0.680  0.704  1.0
  B  B15  1  0.111  0.820  0.204  1.0
  B  B16  1  0.615  0.320  0.704  1.0
  B  B17  1  0.685  0.180  0.204  1.0
  B  B18  1  0.069  0.820  0.796  1.0
  B  B19  1  0.135  0.180  0.796  1.0
  O  O20  1  0.704  0.810  0.160  1.0
  O  O21  1  0.137  0.190  0.160  1.0
  O  O22  1  0.486  0.810  0.840  1.0
  O  O23  1  0.046  0.690  0.340  1.0
  O  O24  1  0.673  0.190  0.840  1.0
  O  O25  1  0.613  0.310  0.340  1.0
  O  O26  1  0.264  0.690  0.660  1.0
  O  O27  1  0.077  0.310  0.660  1.0
  O  O28  1  0.972  0.051  0.244  1.0
  O  O29  1  0.784  0.949  0.244  1.0
  O  O30  1  0.977  0.051  0.756  1.0
  O  O31  1  0.778  0.449  0.256  1.0
  O  O32  1  0.267  0.949  0.756  1.0
  O  O33  1  0.966  0.551  0.256  1.0
  O  O34  1  0.773  0.449  0.744  1.0
  O  O35  1  0.483  0.551  0.744  1.0
[/CIF]
.
The material described by BaBe2(BO2)2 crystallizes in the orthorhombic Fddd space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Be(1) is bonded in a 4-coordinate geometry to one B(1), one O(1), and two equivalent O(2) atoms. B(1) is bonded in a distorted bent 120 degrees geometry to one Be(1), one O(1), and one O(2) atom. 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 Ba(1), one Be(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Be(1) and one B(1) atom. is represented by the CIF file [CIF]
data_BaBe2(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.836
_cell_length_b   8.720
_cell_length_c   8.936
_cell_angle_alpha   58.087
_cell_angle_beta   44.089
_cell_angle_gamma   42.608
_symmetry_Int_Tables_number   1
_cell_volume   471.142
_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  0.375  0.250  0.250  1.0
  Ba  Ba1  1  0.375  0.750  0.250  1.0
  Ba  Ba2  1  0.375  0.250  0.750  1.0
  Ba  Ba3  1  0.875  0.750  0.750  1.0
  Be  Be4  1  0.011  0.242  0.108  1.0
  Be  Be5  1  0.881  0.758  0.108  1.0
  Be  Be6  1  0.747  0.242  0.892  1.0
  Be  Be7  1  0.739  0.258  0.392  1.0
  Be  Be8  1  0.361  0.758  0.892  1.0
  Be  Be9  1  0.869  0.742  0.392  1.0
  Be  Be10  1  0.003  0.258  0.608  1.0
  Be  Be11  1  0.389  0.742  0.608  1.0
  B  B12  1  0.639  0.680  0.296  1.0
  B  B13  1  0.065  0.320  0.296  1.0
  B  B14  1  0.681  0.680  0.704  1.0
  B  B15  1  0.111  0.820  0.204  1.0
  B  B16  1  0.615  0.320  0.704  1.0
  B  B17  1  0.685  0.180  0.204  1.0
  B  B18  1  0.069  0.820  0.796  1.0
  B  B19  1  0.135  0.180  0.796  1.0
  O  O20  1  0.704  0.810  0.160  1.0
  O  O21  1  0.137  0.190  0.160  1.0
  O  O22  1  0.486  0.810  0.840  1.0
  O  O23  1  0.046  0.690  0.340  1.0
  O  O24  1  0.673  0.190  0.840  1.0
  O  O25  1  0.613  0.310  0.340  1.0
  O  O26  1  0.264  0.690  0.660  1.0
  O  O27  1  0.077  0.310  0.660  1.0
  O  O28  1  0.972  0.051  0.244  1.0
  O  O29  1  0.784  0.949  0.244  1.0
  O  O30  1  0.977  0.051  0.756  1.0
  O  O31  1  0.778  0.449  0.256  1.0
  O  O32  1  0.267  0.949  0.756  1.0
  O  O33  1  0.966  0.551  0.256  1.0
  O  O34  1  0.773  0.449  0.744  1.0
  O  O35  1  0.483  0.551  0.744  1.0
[/CIF]
.