The compound described by K3Fe5F15 crystallizes in the orthorhombic Pba2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(2), two equivalent F(4), four equivalent F(7), and four equivalent F(8) atoms to form KF12 cuboctahedra that share faces with two equivalent K(1)F12 cuboctahedra, faces with four equivalent Fe(2)F6 octahedra, and faces with four equivalent Fe(3)F6 octahedra. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. In the second Fe site, Fe(2) is bonded to one F(3), one F(6), one F(7), one F(8), and two equivalent F(2) atoms to form FeF6 octahedra that share  a cornercorner with one Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with three equivalent Fe(3)F6 octahedra, and faces with two equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-42°. In the third Fe site, Fe(3) is bonded to one F(3), one F(5), one F(7), one F(8), and two equivalent F(4) atoms to form FeF6 octahedra that share  a cornercorner with one Fe(1)F6 octahedra, corners with two equivalent Fe(3)F6 octahedra, corners with three equivalent Fe(2)F6 octahedra, and faces with two equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-42°. There are eight inequivalent F sites. In the first F site, F(6) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one Fe(1), and one Fe(2) atom. In the second F site, F(7) is bonded in a distorted linear geometry to two equivalent K(1), one Fe(2), and one Fe(3) atom. In the third F site, F(8) is bonded in a distorted linear geometry to two equivalent K(1), one Fe(2), and one Fe(3) atom. In the fourth F site, F(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the fifth F site, F(2) is bonded in a distorted linear geometry to one K(1) and two equivalent Fe(2) atoms. In the sixth F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(2), one Fe(2), and one Fe(3) atom. In the seventh F site, F(4) is bonded in a distorted linear geometry to one K(1) and two equivalent Fe(3) atoms. In the eighth F site, F(5) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one Fe(1), and one Fe(3) atom. is represented by the CIF card [CIF]
data_K3Fe5F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.023
_cell_length_b   12.977
_cell_length_c   13.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   680.044
_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  0.972  0.500  0.500  1.0
  K  K1  1  0.972  0.000  0.000  1.0
  K  K2  1  0.972  0.176  0.323  1.0
  K  K3  1  0.972  0.824  0.677  1.0
  K  K4  1  0.972  0.676  0.177  1.0
  K  K5  1  0.972  0.324  0.823  1.0
  Fe  Fe6  1  0.443  0.000  0.500  1.0
  Fe  Fe7  1  0.443  0.500  0.000  1.0
  Fe  Fe8  1  0.462  0.713  0.424  1.0
  Fe  Fe9  1  0.462  0.287  0.576  1.0
  Fe  Fe10  1  0.462  0.213  0.076  1.0
  Fe  Fe11  1  0.462  0.787  0.924  1.0
  Fe  Fe12  1  0.461  0.576  0.714  1.0
  Fe  Fe13  1  0.461  0.424  0.286  1.0
  Fe  Fe14  1  0.461  0.076  0.786  1.0
  Fe  Fe15  1  0.461  0.924  0.214  1.0
  F  F16  1  0.946  0.000  0.500  1.0
  F  F17  1  0.946  0.500  0.000  1.0
  F  F18  1  0.962  0.711  0.426  1.0
  F  F19  1  0.962  0.289  0.574  1.0
  F  F20  1  0.962  0.211  0.074  1.0
  F  F21  1  0.962  0.789  0.926  1.0
  F  F22  1  0.462  0.274  0.218  1.0
  F  F23  1  0.462  0.726  0.782  1.0
  F  F24  1  0.462  0.774  0.282  1.0
  F  F25  1  0.462  0.226  0.718  1.0
  F  F26  1  0.961  0.575  0.708  1.0
  F  F27  1  0.961  0.425  0.292  1.0
  F  F28  1  0.961  0.075  0.792  1.0
  F  F29  1  0.961  0.925  0.208  1.0
  F  F30  1  0.449  0.509  0.148  1.0
  F  F31  1  0.449  0.491  0.852  1.0
  F  F32  1  0.449  0.009  0.352  1.0
  F  F33  1  0.449  0.991  0.648  1.0
  F  F34  1  0.451  0.849  0.505  1.0
  F  F35  1  0.451  0.151  0.495  1.0
  F  F36  1  0.451  0.349  0.995  1.0
  F  F37  1  0.451  0.651  0.005  1.0
  F  F38  1  0.467  0.572  0.358  1.0
  F  F39  1  0.467  0.428  0.642  1.0
  F  F40  1  0.467  0.072  0.142  1.0
  F  F41  1  0.467  0.928  0.858  1.0
  F  F42  1  0.468  0.646  0.564  1.0
  F  F43  1  0.468  0.354  0.436  1.0
  F  F44  1  0.468  0.146  0.936  1.0
  F  F45  1  0.468  0.854  0.064  1.0
[/CIF]
.
The compound described by K3Fe5F15 crystallizes in the orthorhombic Pba2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(2), two equivalent F(4), four equivalent F(7), and four equivalent F(8) atoms to form KF12 cuboctahedra that share faces with two equivalent K(1)F12 cuboctahedra, faces with four equivalent Fe(2)F6 octahedra, and faces with four equivalent Fe(3)F6 octahedra. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. In the second Fe site, Fe(2) is bonded to one F(3), one F(6), one F(7), one F(8), and two equivalent F(2) atoms to form FeF6 octahedra that share  a cornercorner with one Fe(1)F6 octahedra, corners with two equivalent Fe(2)F6 octahedra, corners with three equivalent Fe(3)F6 octahedra, and faces with two equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-42°. In the third Fe site, Fe(3) is bonded to one F(3), one F(5), one F(7), one F(8), and two equivalent F(4) atoms to form FeF6 octahedra that share  a cornercorner with one Fe(1)F6 octahedra, corners with two equivalent Fe(3)F6 octahedra, corners with three equivalent Fe(2)F6 octahedra, and faces with two equivalent K(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-42°. There are eight inequivalent F sites. In the first F site, F(6) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one Fe(1), and one Fe(2) atom. In the second F site, F(7) is bonded in a distorted linear geometry to two equivalent K(1), one Fe(2), and one Fe(3) atom. In the third F site, F(8) is bonded in a distorted linear geometry to two equivalent K(1), one Fe(2), and one Fe(3) atom. In the fourth F site, F(1) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the fifth F site, F(2) is bonded in a distorted linear geometry to one K(1) and two equivalent Fe(2) atoms. In the sixth F site, F(3) is bonded in a 4-coordinate geometry to two equivalent K(2), one Fe(2), and one Fe(3) atom. In the seventh F site, F(4) is bonded in a distorted linear geometry to one K(1) and two equivalent Fe(3) atoms. In the eighth F site, F(5) is bonded in a distorted bent 150 degrees geometry to two equivalent K(2), one Fe(1), and one Fe(3) atom. is represented by the CIF card [CIF]
data_K3Fe5F15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.023
_cell_length_b   12.977
_cell_length_c   13.028
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   680.044
_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  0.972  0.500  0.500  1.0
  K  K1  1  0.972  0.000  0.000  1.0
  K  K2  1  0.972  0.176  0.323  1.0
  K  K3  1  0.972  0.824  0.677  1.0
  K  K4  1  0.972  0.676  0.177  1.0
  K  K5  1  0.972  0.324  0.823  1.0
  Fe  Fe6  1  0.443  0.000  0.500  1.0
  Fe  Fe7  1  0.443  0.500  0.000  1.0
  Fe  Fe8  1  0.462  0.713  0.424  1.0
  Fe  Fe9  1  0.462  0.287  0.576  1.0
  Fe  Fe10  1  0.462  0.213  0.076  1.0
  Fe  Fe11  1  0.462  0.787  0.924  1.0
  Fe  Fe12  1  0.461  0.576  0.714  1.0
  Fe  Fe13  1  0.461  0.424  0.286  1.0
  Fe  Fe14  1  0.461  0.076  0.786  1.0
  Fe  Fe15  1  0.461  0.924  0.214  1.0
  F  F16  1  0.946  0.000  0.500  1.0
  F  F17  1  0.946  0.500  0.000  1.0
  F  F18  1  0.962  0.711  0.426  1.0
  F  F19  1  0.962  0.289  0.574  1.0
  F  F20  1  0.962  0.211  0.074  1.0
  F  F21  1  0.962  0.789  0.926  1.0
  F  F22  1  0.462  0.274  0.218  1.0
  F  F23  1  0.462  0.726  0.782  1.0
  F  F24  1  0.462  0.774  0.282  1.0
  F  F25  1  0.462  0.226  0.718  1.0
  F  F26  1  0.961  0.575  0.708  1.0
  F  F27  1  0.961  0.425  0.292  1.0
  F  F28  1  0.961  0.075  0.792  1.0
  F  F29  1  0.961  0.925  0.208  1.0
  F  F30  1  0.449  0.509  0.148  1.0
  F  F31  1  0.449  0.491  0.852  1.0
  F  F32  1  0.449  0.009  0.352  1.0
  F  F33  1  0.449  0.991  0.648  1.0
  F  F34  1  0.451  0.849  0.505  1.0
  F  F35  1  0.451  0.151  0.495  1.0
  F  F36  1  0.451  0.349  0.995  1.0
  F  F37  1  0.451  0.651  0.005  1.0
  F  F38  1  0.467  0.572  0.358  1.0
  F  F39  1  0.467  0.428  0.642  1.0
  F  F40  1  0.467  0.072  0.142  1.0
  F  F41  1  0.467  0.928  0.858  1.0
  F  F42  1  0.468  0.646  0.564  1.0
  F  F43  1  0.468  0.354  0.436  1.0
  F  F44  1  0.468  0.146  0.936  1.0
  F  F45  1  0.468  0.854  0.064  1.0
[/CIF]
.