The compound described by KBrF4 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Br(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Br(1) atom. is represented by the CIF card [CIF]
data_KBrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.604
_cell_length_b   7.604
_cell_length_c   7.604
_cell_angle_alpha   133.062
_cell_angle_beta   133.062
_cell_angle_gamma   68.557
_symmetry_Int_Tables_number   1
_cell_volume   230.523
_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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  Br  Br2  1  0.750  0.250  0.500  1.0
  Br  Br3  1  0.250  0.750  0.500  1.0
  F  F4  1  0.027  0.527  0.804  1.0
  F  F5  1  0.277  0.777  0.804  1.0
  F  F6  1  0.223  0.027  0.500  1.0
  F  F7  1  0.527  0.723  0.500  1.0
  F  F8  1  0.777  0.973  0.500  1.0
  F  F9  1  0.973  0.473  0.196  1.0
  F  F10  1  0.723  0.223  0.196  1.0
  F  F11  1  0.473  0.277  0.500  1.0
[/CIF]
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The compound described by KBrF4 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent F(1) atoms. Br(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Br(1) atom. is represented by the CIF card [CIF]
data_KBrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.604
_cell_length_b   7.604
_cell_length_c   7.604
_cell_angle_alpha   133.062
_cell_angle_beta   133.062
_cell_angle_gamma   68.557
_symmetry_Int_Tables_number   1
_cell_volume   230.523
_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
  K  K0  1  0.000  0.000  0.000  1.0
  K  K1  1  0.500  0.500  0.000  1.0
  Br  Br2  1  0.750  0.250  0.500  1.0
  Br  Br3  1  0.250  0.750  0.500  1.0
  F  F4  1  0.027  0.527  0.804  1.0
  F  F5  1  0.277  0.777  0.804  1.0
  F  F6  1  0.223  0.027  0.500  1.0
  F  F7  1  0.527  0.723  0.500  1.0
  F  F8  1  0.777  0.973  0.500  1.0
  F  F9  1  0.973  0.473  0.196  1.0
  F  F10  1  0.723  0.223  0.196  1.0
  F  F11  1  0.473  0.277  0.500  1.0
[/CIF]
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