The crystal structure described by BaBeF4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 12-coordinate geometry to three equivalent F(2), three equivalent F(3), and six equivalent F(1) atoms. Be(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 three equivalent Ba(1) and one Be(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Be(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.265
_cell_length_b   7.070
_cell_length_c   8.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.971
_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  0.250  0.154  0.187  1.0
  Ba  Ba1  1  0.750  0.846  0.813  1.0
  Ba  Ba2  1  0.750  0.654  0.313  1.0
  Ba  Ba3  1  0.250  0.346  0.687  1.0
  Be  Be4  1  0.250  0.808  0.554  1.0
  Be  Be5  1  0.250  0.692  0.054  1.0
  Be  Be6  1  0.750  0.308  0.946  1.0
  Be  Be7  1  0.750  0.192  0.446  1.0
  F  F8  1  0.488  0.820  0.080  1.0
  F  F9  1  0.012  0.680  0.580  1.0
  F  F10  1  0.512  0.320  0.420  1.0
  F  F11  1  0.988  0.180  0.920  1.0
  F  F12  1  0.250  0.874  0.390  1.0
  F  F13  1  0.750  0.126  0.610  1.0
  F  F14  1  0.750  0.374  0.110  1.0
  F  F15  1  0.250  0.626  0.890  1.0
  F  F16  1  0.250  0.963  0.676  1.0
  F  F17  1  0.750  0.037  0.324  1.0
  F  F18  1  0.750  0.463  0.824  1.0
  F  F19  1  0.250  0.537  0.176  1.0
  F  F20  1  0.988  0.320  0.420  1.0
  F  F21  1  0.488  0.680  0.580  1.0
  F  F22  1  0.012  0.820  0.080  1.0
  F  F23  1  0.512  0.180  0.920  1.0
[/CIF]
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The crystal structure described by BaBeF4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 12-coordinate geometry to three equivalent F(2), three equivalent F(3), and six equivalent F(1) atoms. Be(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 three equivalent Ba(1) and one Be(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Be(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.265
_cell_length_b   7.070
_cell_length_c   8.891
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.971
_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  0.250  0.154  0.187  1.0
  Ba  Ba1  1  0.750  0.846  0.813  1.0
  Ba  Ba2  1  0.750  0.654  0.313  1.0
  Ba  Ba3  1  0.250  0.346  0.687  1.0
  Be  Be4  1  0.250  0.808  0.554  1.0
  Be  Be5  1  0.250  0.692  0.054  1.0
  Be  Be6  1  0.750  0.308  0.946  1.0
  Be  Be7  1  0.750  0.192  0.446  1.0
  F  F8  1  0.488  0.820  0.080  1.0
  F  F9  1  0.012  0.680  0.580  1.0
  F  F10  1  0.512  0.320  0.420  1.0
  F  F11  1  0.988  0.180  0.920  1.0
  F  F12  1  0.250  0.874  0.390  1.0
  F  F13  1  0.750  0.126  0.610  1.0
  F  F14  1  0.750  0.374  0.110  1.0
  F  F15  1  0.250  0.626  0.890  1.0
  F  F16  1  0.250  0.963  0.676  1.0
  F  F17  1  0.750  0.037  0.324  1.0
  F  F18  1  0.750  0.463  0.824  1.0
  F  F19  1  0.250  0.537  0.176  1.0
  F  F20  1  0.988  0.320  0.420  1.0
  F  F21  1  0.488  0.680  0.580  1.0
  F  F22  1  0.012  0.820  0.080  1.0
  F  F23  1  0.512  0.180  0.920  1.0
[/CIF]
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