The structure described by KFeF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(5), two equivalent F(3), and four equivalent F(2) atoms. Fe(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing FK3Fe tetrahedra. In the third F site, F(3) is bonded to one K(2), two equivalent K(1), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing FK3Fe tetrahedra. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_KFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.572
_cell_length_b   7.765
_cell_length_c   12.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.470
_cell_formula_units_Z   8
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  0.375  0.026  1.0
  K  K1  1  0.250  0.376  0.488  1.0
  K  K2  1  0.750  0.876  0.012  1.0
  K  K3  1  0.250  0.625  0.974  1.0
  K  K4  1  0.250  0.875  0.474  1.0
  K  K5  1  0.750  0.125  0.526  1.0
  K  K6  1  0.750  0.624  0.512  1.0
  K  K7  1  0.250  0.124  0.988  1.0
  Fe  Fe8  1  0.001  0.626  0.248  1.0
  Fe  Fe9  1  0.999  0.126  0.252  1.0
  Fe  Fe10  1  0.999  0.374  0.752  1.0
  Fe  Fe11  1  0.501  0.374  0.752  1.0
  Fe  Fe12  1  0.499  0.874  0.748  1.0
  Fe  Fe13  1  0.501  0.126  0.252  1.0
  Fe  Fe14  1  0.499  0.626  0.248  1.0
  Fe  Fe15  1  0.001  0.874  0.748  1.0
  F  F16  1  0.049  0.876  0.252  1.0
  F  F17  1  0.449  0.616  0.399  1.0
  F  F18  1  0.049  0.624  0.752  1.0
  F  F19  1  0.452  0.365  0.904  1.0
  F  F20  1  0.548  0.865  0.596  1.0
  F  F21  1  0.750  0.420  0.791  1.0
  F  F22  1  0.949  0.384  0.601  1.0
  F  F23  1  0.451  0.624  0.752  1.0
  F  F24  1  0.750  0.830  0.784  1.0
  F  F25  1  0.051  0.616  0.399  1.0
  F  F26  1  0.551  0.116  0.101  1.0
  F  F27  1  0.549  0.376  0.248  1.0
  F  F28  1  0.551  0.384  0.601  1.0
  F  F29  1  0.949  0.116  0.101  1.0
  F  F30  1  0.548  0.635  0.096  1.0
  F  F31  1  0.452  0.135  0.404  1.0
  F  F32  1  0.051  0.884  0.899  1.0
  F  F33  1  0.250  0.920  0.709  1.0
  F  F34  1  0.952  0.635  0.096  1.0
  F  F35  1  0.750  0.670  0.284  1.0
  F  F36  1  0.250  0.330  0.716  1.0
  F  F37  1  0.951  0.376  0.248  1.0
  F  F38  1  0.549  0.124  0.748  1.0
  F  F39  1  0.952  0.865  0.596  1.0
  F  F40  1  0.449  0.884  0.899  1.0
  F  F41  1  0.451  0.876  0.252  1.0
  F  F42  1  0.048  0.135  0.404  1.0
  F  F43  1  0.250  0.170  0.216  1.0
  F  F44  1  0.951  0.124  0.748  1.0
  F  F45  1  0.250  0.580  0.209  1.0
  F  F46  1  0.750  0.080  0.291  1.0
  F  F47  1  0.048  0.365  0.904  1.0
[/CIF]
.
The structure described by KFeF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), and four equivalent F(3) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(5), two equivalent F(3), and four equivalent F(2) atoms. Fe(1) is bonded to one F(2), one F(3), one F(4), one F(5), and two equivalent F(1) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing FK3Fe tetrahedra. In the third F site, F(3) is bonded to one K(2), two equivalent K(1), and one Fe(1) atom to form a mixture of distorted edge and corner-sharing FK3Fe tetrahedra. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one K(1) and two equivalent Fe(1) atoms. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_KFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.572
_cell_length_b   7.765
_cell_length_c   12.152
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.470
_cell_formula_units_Z   8
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  0.375  0.026  1.0
  K  K1  1  0.250  0.376  0.488  1.0
  K  K2  1  0.750  0.876  0.012  1.0
  K  K3  1  0.250  0.625  0.974  1.0
  K  K4  1  0.250  0.875  0.474  1.0
  K  K5  1  0.750  0.125  0.526  1.0
  K  K6  1  0.750  0.624  0.512  1.0
  K  K7  1  0.250  0.124  0.988  1.0
  Fe  Fe8  1  0.001  0.626  0.248  1.0
  Fe  Fe9  1  0.999  0.126  0.252  1.0
  Fe  Fe10  1  0.999  0.374  0.752  1.0
  Fe  Fe11  1  0.501  0.374  0.752  1.0
  Fe  Fe12  1  0.499  0.874  0.748  1.0
  Fe  Fe13  1  0.501  0.126  0.252  1.0
  Fe  Fe14  1  0.499  0.626  0.248  1.0
  Fe  Fe15  1  0.001  0.874  0.748  1.0
  F  F16  1  0.049  0.876  0.252  1.0
  F  F17  1  0.449  0.616  0.399  1.0
  F  F18  1  0.049  0.624  0.752  1.0
  F  F19  1  0.452  0.365  0.904  1.0
  F  F20  1  0.548  0.865  0.596  1.0
  F  F21  1  0.750  0.420  0.791  1.0
  F  F22  1  0.949  0.384  0.601  1.0
  F  F23  1  0.451  0.624  0.752  1.0
  F  F24  1  0.750  0.830  0.784  1.0
  F  F25  1  0.051  0.616  0.399  1.0
  F  F26  1  0.551  0.116  0.101  1.0
  F  F27  1  0.549  0.376  0.248  1.0
  F  F28  1  0.551  0.384  0.601  1.0
  F  F29  1  0.949  0.116  0.101  1.0
  F  F30  1  0.548  0.635  0.096  1.0
  F  F31  1  0.452  0.135  0.404  1.0
  F  F32  1  0.051  0.884  0.899  1.0
  F  F33  1  0.250  0.920  0.709  1.0
  F  F34  1  0.952  0.635  0.096  1.0
  F  F35  1  0.750  0.670  0.284  1.0
  F  F36  1  0.250  0.330  0.716  1.0
  F  F37  1  0.951  0.376  0.248  1.0
  F  F38  1  0.549  0.124  0.748  1.0
  F  F39  1  0.952  0.865  0.596  1.0
  F  F40  1  0.449  0.884  0.899  1.0
  F  F41  1  0.451  0.876  0.252  1.0
  F  F42  1  0.048  0.135  0.404  1.0
  F  F43  1  0.250  0.170  0.216  1.0
  F  F44  1  0.951  0.124  0.748  1.0
  F  F45  1  0.250  0.580  0.209  1.0
  F  F46  1  0.750  0.080  0.291  1.0
  F  F47  1  0.048  0.365  0.904  1.0
[/CIF]
.