The compound described by BaB2F8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent F(2), four equivalent F(1), and four equivalent F(3) atoms. B(1) is bonded in a tetrahedral geometry to one F(2), one F(3), and two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. is represented by the CIF file [CIF]
data_BaB2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.716
_cell_length_b   5.018
_cell_length_c   6.739
_cell_angle_alpha   111.881
_cell_angle_beta   109.885
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   137.709
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  B  B1  1  0.287  0.348  0.696  1.0
  B  B2  1  0.713  0.652  0.304  1.0
  F  F3  1  0.465  0.615  0.769  1.0
  F  F4  1  0.858  0.771  0.542  1.0
  F  F5  1  0.466  0.155  0.769  1.0
  F  F6  1  0.065  0.401  0.801  1.0
  F  F7  1  0.534  0.845  0.231  1.0
  F  F8  1  0.535  0.385  0.231  1.0
  F  F9  1  0.142  0.229  0.458  1.0
  F  F10  1  0.935  0.599  0.199  1.0
[/CIF]
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The compound described by BaB2F8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent F(2), four equivalent F(1), and four equivalent F(3) atoms. B(1) is bonded in a tetrahedral geometry to one F(2), one F(3), and two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Ba(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent Ba(1) and one B(1) atom. is represented by the CIF file [CIF]
data_BaB2F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.716
_cell_length_b   5.018
_cell_length_c   6.739
_cell_angle_alpha   111.881
_cell_angle_beta   109.885
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   137.709
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  B  B1  1  0.287  0.348  0.696  1.0
  B  B2  1  0.713  0.652  0.304  1.0
  F  F3  1  0.465  0.615  0.769  1.0
  F  F4  1  0.858  0.771  0.542  1.0
  F  F5  1  0.466  0.155  0.769  1.0
  F  F6  1  0.065  0.401  0.801  1.0
  F  F7  1  0.534  0.845  0.231  1.0
  F  F8  1  0.535  0.385  0.231  1.0
  F  F9  1  0.142  0.229  0.458  1.0
  F  F10  1  0.935  0.599  0.199  1.0
[/CIF]
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