The material described by KBF4 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one F(4), two equivalent F(2), two equivalent F(3), and three equivalent F(1) atoms. B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to three equivalent K(1) and one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one K(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.092
_cell_length_b   5.135
_cell_length_c   5.298
_cell_angle_alpha   96.959
_cell_angle_beta   115.988
_cell_angle_gamma   114.147
_symmetry_Int_Tables_number   1
_cell_volume   105.724
_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
  K  K0  1  0.984  0.545  0.413  1.0
  B  B1  1  0.469  0.821  0.150  1.0
  F  F2  1  0.304  0.497  0.057  1.0
  F  F3  1  0.758  0.956  0.452  1.0
  F  F4  1  0.582  0.921  0.958  1.0
  F  F5  1  0.239  0.915  0.138  1.0
[/CIF]
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The material described by KBF4 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one F(4), two equivalent F(2), two equivalent F(3), and three equivalent F(1) atoms. B(1) is bonded in a tetrahedral geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to three equivalent K(1) and one B(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one K(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.092
_cell_length_b   5.135
_cell_length_c   5.298
_cell_angle_alpha   96.959
_cell_angle_beta   115.988
_cell_angle_gamma   114.147
_symmetry_Int_Tables_number   1
_cell_volume   105.724
_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
  K  K0  1  0.984  0.545  0.413  1.0
  B  B1  1  0.469  0.821  0.150  1.0
  F  F2  1  0.304  0.497  0.057  1.0
  F  F3  1  0.758  0.956  0.452  1.0
  F  F4  1  0.582  0.921  0.958  1.0
  F  F5  1  0.239  0.915  0.138  1.0
[/CIF]
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