The material described by KFeBr4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. K(1) is bonded in a 8-coordinate geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Fe(1) is bonded in a tetrahedral geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Fe(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_KFeBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.719
_cell_length_b   10.362
_cell_length_c   10.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   824.505
_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
  K  K0  1  0.325  0.250  0.250  1.0
  K  K1  1  0.675  0.750  0.750  1.0
  K  K2  1  0.175  0.750  0.250  1.0
  K  K3  1  0.825  0.250  0.750  1.0
  Fe  Fe4  1  0.250  1.000  0.681  1.0
  Fe  Fe5  1  0.750  1.000  0.319  1.0
  Fe  Fe6  1  0.250  0.500  0.819  1.0
  Fe  Fe7  1  0.750  0.500  0.181  1.0
  Br  Br8  1  0.167  0.177  0.553  1.0
  Br  Br9  1  0.833  0.823  0.447  1.0
  Br  Br10  1  0.333  0.823  0.553  1.0
  Br  Br11  1  0.333  0.677  0.947  1.0
  Br  Br12  1  0.667  0.177  0.447  1.0
  Br  Br13  1  0.667  0.323  0.053  1.0
  Br  Br14  1  0.167  0.323  0.947  1.0
  Br  Br15  1  0.833  0.677  0.053  1.0
  Br  Br16  1  0.990  0.046  0.186  1.0
  Br  Br17  1  0.010  0.954  0.814  1.0
  Br  Br18  1  0.510  0.954  0.186  1.0
  Br  Br19  1  0.510  0.546  0.314  1.0
  Br  Br20  1  0.490  0.046  0.814  1.0
  Br  Br21  1  0.490  0.454  0.686  1.0
  Br  Br22  1  0.990  0.454  0.314  1.0
  Br  Br23  1  0.010  0.546  0.686  1.0
[/CIF]
.
The material described by KFeBr4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. K(1) is bonded in a 8-coordinate geometry to four equivalent Br(1) and four equivalent Br(2) atoms. Fe(1) is bonded in a tetrahedral geometry to two equivalent Br(1) and two equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Fe(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_KFeBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.719
_cell_length_b   10.362
_cell_length_c   10.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   824.505
_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
  K  K0  1  0.325  0.250  0.250  1.0
  K  K1  1  0.675  0.750  0.750  1.0
  K  K2  1  0.175  0.750  0.250  1.0
  K  K3  1  0.825  0.250  0.750  1.0
  Fe  Fe4  1  0.250  1.000  0.681  1.0
  Fe  Fe5  1  0.750  1.000  0.319  1.0
  Fe  Fe6  1  0.250  0.500  0.819  1.0
  Fe  Fe7  1  0.750  0.500  0.181  1.0
  Br  Br8  1  0.167  0.177  0.553  1.0
  Br  Br9  1  0.833  0.823  0.447  1.0
  Br  Br10  1  0.333  0.823  0.553  1.0
  Br  Br11  1  0.333  0.677  0.947  1.0
  Br  Br12  1  0.667  0.177  0.447  1.0
  Br  Br13  1  0.667  0.323  0.053  1.0
  Br  Br14  1  0.167  0.323  0.947  1.0
  Br  Br15  1  0.833  0.677  0.053  1.0
  Br  Br16  1  0.990  0.046  0.186  1.0
  Br  Br17  1  0.010  0.954  0.814  1.0
  Br  Br18  1  0.510  0.954  0.186  1.0
  Br  Br19  1  0.510  0.546  0.314  1.0
  Br  Br20  1  0.490  0.046  0.814  1.0
  Br  Br21  1  0.490  0.454  0.686  1.0
  Br  Br22  1  0.990  0.454  0.314  1.0
  Br  Br23  1  0.010  0.546  0.686  1.0
[/CIF]
.