The structure described by NaBF4 is Zircon-like structured and crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one B(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.525
_cell_length_b   4.525
_cell_length_c   6.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.026
_symmetry_Int_Tables_number   1
_cell_volume   136.843
_cell_formula_units_Z   2
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
  Na  Na0  1  0.352  0.352  0.250  1.0
  Na  Na1  1  0.648  0.648  0.750  1.0
  B  B2  1  0.849  0.849  0.250  1.0
  B  B3  1  0.151  0.151  0.750  1.0
  F  F4  1  0.712  0.712  0.419  1.0
  F  F5  1  0.288  0.288  0.919  1.0
  F  F6  1  0.712  0.712  0.081  1.0
  F  F7  1  0.288  0.288  0.581  1.0
  F  F8  1  0.185  0.846  0.750  1.0
  F  F9  1  0.815  0.154  0.250  1.0
  F  F10  1  0.846  0.185  0.750  1.0
  F  F11  1  0.154  0.815  0.250  1.0
[/CIF]
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The structure described by NaBF4 is Zircon-like structured and crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one B(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.525
_cell_length_b   4.525
_cell_length_c   6.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.026
_symmetry_Int_Tables_number   1
_cell_volume   136.843
_cell_formula_units_Z   2
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
  Na  Na0  1  0.352  0.352  0.250  1.0
  Na  Na1  1  0.648  0.648  0.750  1.0
  B  B2  1  0.849  0.849  0.250  1.0
  B  B3  1  0.151  0.151  0.750  1.0
  F  F4  1  0.712  0.712  0.419  1.0
  F  F5  1  0.288  0.288  0.919  1.0
  F  F6  1  0.712  0.712  0.081  1.0
  F  F7  1  0.288  0.288  0.581  1.0
  F  F8  1  0.185  0.846  0.750  1.0
  F  F9  1  0.815  0.154  0.250  1.0
  F  F10  1  0.846  0.185  0.750  1.0
  F  F11  1  0.154  0.815  0.250  1.0
[/CIF]
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