The material described by K2FeF5 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. Fe(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Fe(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Fe(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_K2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   7.092
_cell_length_c   7.231
_cell_angle_alpha   115.789
_cell_angle_beta   90.000
_cell_angle_gamma   113.718
_symmetry_Int_Tables_number   1
_cell_volume   235.714
_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  0.471  0.941  0.743  1.0
  K  K1  1  0.529  0.059  0.257  1.0
  K  K2  1  0.167  0.334  0.768  1.0
  K  K3  1  0.833  0.666  0.232  1.0
  Fe  Fe4  1  0.186  0.373  0.275  1.0
  Fe  Fe5  1  0.814  0.627  0.725  1.0
  F  F6  1  0.000  0.500  0.500  1.0
  F  F7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.055  0.110  0.328  1.0
  F  F9  1  0.945  0.890  0.672  1.0
  F  F10  1  0.343  0.686  0.306  1.0
  F  F11  1  0.657  0.314  0.694  1.0
  F  F12  1  0.893  0.270  0.072  1.0
  F  F13  1  0.377  0.270  0.072  1.0
  F  F14  1  0.107  0.730  0.928  1.0
  F  F15  1  0.623  0.730  0.928  1.0
[/CIF]
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The material described by K2FeF5 crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and four equivalent F(4) atoms. Fe(1) is bonded to one F(2), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Fe(1) atom. In the third F site, F(3) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Fe(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_K2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   7.092
_cell_length_c   7.231
_cell_angle_alpha   115.789
_cell_angle_beta   90.000
_cell_angle_gamma   113.718
_symmetry_Int_Tables_number   1
_cell_volume   235.714
_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  0.471  0.941  0.743  1.0
  K  K1  1  0.529  0.059  0.257  1.0
  K  K2  1  0.167  0.334  0.768  1.0
  K  K3  1  0.833  0.666  0.232  1.0
  Fe  Fe4  1  0.186  0.373  0.275  1.0
  Fe  Fe5  1  0.814  0.627  0.725  1.0
  F  F6  1  0.000  0.500  0.500  1.0
  F  F7  1  0.500  0.500  0.500  1.0
  F  F8  1  0.055  0.110  0.328  1.0
  F  F9  1  0.945  0.890  0.672  1.0
  F  F10  1  0.343  0.686  0.306  1.0
  F  F11  1  0.657  0.314  0.694  1.0
  F  F12  1  0.893  0.270  0.072  1.0
  F  F13  1  0.377  0.270  0.072  1.0
  F  F14  1  0.107  0.730  0.928  1.0
  F  F15  1  0.623  0.730  0.928  1.0
[/CIF]
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