The crystal structure described by K2FeI4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one I(1), one I(3), and four equivalent I(2) atoms. In the second K site, K(2) is bonded to one I(1), one I(3), and four equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with four equivalent Fe(1)I4 tetrahedra, edges with two equivalent K(2)I6 pentagonal pyramids, and  an edgeedge with one Fe(1)I4 tetrahedra. Fe(1) is bonded to one I(1), one I(3), and two equivalent I(2) atoms to form FeI4 tetrahedra that share corners with four equivalent K(2)I6 pentagonal pyramids and  an edgeedge with one K(2)I6 pentagonal pyramid. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Fe(1) atom. In the second I site, I(2) is bonded to two equivalent K(1), two equivalent K(2), and one Fe(1) atom to form a mixture of distorted edge, face, and corner-sharing IK4Fe square pyramids. In the third I site, I(3) is bonded in a T-shaped geometry to one K(1), one K(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K2FeI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   7.789
_cell_length_c   9.646
_cell_angle_alpha   71.763
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.635
_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  0.750  0.788  0.551  1.0
  K  K1  1  0.250  0.212  0.449  1.0
  K  K2  1  0.750  0.752  0.064  1.0
  K  K3  1  0.250  0.248  0.936  1.0
  Fe  Fe4  1  0.750  0.234  0.697  1.0
  Fe  Fe5  1  0.250  0.766  0.303  1.0
  I  I6  1  0.750  0.405  0.417  1.0
  I  I7  1  0.250  0.595  0.583  1.0
  I  I8  1  0.001  0.995  0.243  1.0
  I  I9  1  0.999  0.005  0.757  1.0
  I  I10  1  0.501  0.005  0.757  1.0
  I  I11  1  0.499  0.995  0.243  1.0
  I  I12  1  0.750  0.418  0.881  1.0
  I  I13  1  0.250  0.582  0.119  1.0
[/CIF]
.
The crystal structure described by K2FeI4 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one I(1), one I(3), and four equivalent I(2) atoms. In the second K site, K(2) is bonded to one I(1), one I(3), and four equivalent I(2) atoms to form distorted KI6 pentagonal pyramids that share corners with four equivalent Fe(1)I4 tetrahedra, edges with two equivalent K(2)I6 pentagonal pyramids, and  an edgeedge with one Fe(1)I4 tetrahedra. Fe(1) is bonded to one I(1), one I(3), and two equivalent I(2) atoms to form FeI4 tetrahedra that share corners with four equivalent K(2)I6 pentagonal pyramids and  an edgeedge with one K(2)I6 pentagonal pyramid. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted T-shaped geometry to one K(1), one K(2), and one Fe(1) atom. In the second I site, I(2) is bonded to two equivalent K(1), two equivalent K(2), and one Fe(1) atom to form a mixture of distorted edge, face, and corner-sharing IK4Fe square pyramids. In the third I site, I(3) is bonded in a T-shaped geometry to one K(1), one K(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_K2FeI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   7.789
_cell_length_c   9.646
_cell_angle_alpha   71.763
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.635
_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  0.750  0.788  0.551  1.0
  K  K1  1  0.250  0.212  0.449  1.0
  K  K2  1  0.750  0.752  0.064  1.0
  K  K3  1  0.250  0.248  0.936  1.0
  Fe  Fe4  1  0.750  0.234  0.697  1.0
  Fe  Fe5  1  0.250  0.766  0.303  1.0
  I  I6  1  0.750  0.405  0.417  1.0
  I  I7  1  0.250  0.595  0.583  1.0
  I  I8  1  0.001  0.995  0.243  1.0
  I  I9  1  0.999  0.005  0.757  1.0
  I  I10  1  0.501  0.005  0.757  1.0
  I  I11  1  0.499  0.995  0.243  1.0
  I  I12  1  0.750  0.418  0.881  1.0
  I  I13  1  0.250  0.582  0.119  1.0
[/CIF]
.