The material structure described by Pb5Fe3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one F(1), one F(3), two equivalent F(2), and two equivalent F(7) atoms. In the second Fe site, Fe(2) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), one F(4), one F(7), and two equivalent F(6) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent F(4) and four equivalent F(1) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Pb(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Pb(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Pb(2) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Fe(2) atoms. In the sixth F site, F(6) is bonded in a single-bond geometry to one Fe(2) and two equivalent Pb(1) atoms. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Fe3Pb5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.079
_cell_length_b   11.079
_cell_length_c   11.079
_cell_angle_alpha   97.321
_cell_angle_beta   97.321
_cell_angle_gamma   138.172
_symmetry_Int_Tables_number   1
_cell_volume   847.097
_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
  Fe  Fe0  1  0.286  0.109  0.500  1.0
  Fe  Fe1  1  0.609  0.786  0.500  1.0
  Fe  Fe2  1  0.109  0.609  0.822  1.0
  Fe  Fe3  1  0.786  0.286  0.178  1.0
  Fe  Fe4  1  0.749  0.749  0.000  1.0
  Fe  Fe5  1  0.249  0.249  0.000  1.0
  Pb  Pb6  1  0.665  0.963  0.843  1.0
  Pb  Pb7  1  0.120  0.822  0.157  1.0
  Pb  Pb8  1  0.963  0.120  0.298  1.0
  Pb  Pb9  1  0.165  0.322  0.702  1.0
  Pb  Pb10  1  0.822  0.665  0.702  1.0
  Pb  Pb11  1  0.620  0.463  0.298  1.0
  Pb  Pb12  1  0.463  0.165  0.843  1.0
  Pb  Pb13  1  0.322  0.620  0.157  1.0
  Pb  Pb14  1  0.290  0.790  0.500  1.0
  Pb  Pb15  1  0.790  0.290  0.500  1.0
  F  F16  1  0.464  0.109  0.500  1.0
  F  F17  1  0.609  0.964  0.500  1.0
  F  F18  1  0.109  0.609  0.645  1.0
  F  F19  1  0.964  0.464  0.355  1.0
  F  F20  1  0.719  0.091  0.243  1.0
  F  F21  1  0.848  0.476  0.757  1.0
  F  F22  1  0.091  0.848  0.372  1.0
  F  F23  1  0.219  0.976  0.628  1.0
  F  F24  1  0.476  0.719  0.628  1.0
  F  F25  1  0.348  0.591  0.372  1.0
  F  F26  1  0.591  0.219  0.243  1.0
  F  F27  1  0.976  0.348  0.757  1.0
  F  F28  1  0.630  0.629  0.500  1.0
  F  F29  1  0.129  0.130  0.500  1.0
  F  F30  1  0.629  0.129  0.999  1.0
  F  F31  1  0.130  0.630  0.001  1.0
  F  F32  1  0.787  0.517  0.500  1.0
  F  F33  1  0.017  0.287  0.500  1.0
  F  F34  1  0.517  0.017  0.730  1.0
  F  F35  1  0.287  0.787  0.270  1.0
  F  F36  1  0.003  0.003  0.000  1.0
  F  F37  1  0.503  0.503  0.000  1.0
  F  F38  1  0.703  0.880  0.061  1.0
  F  F39  1  0.819  0.642  0.939  1.0
  F  F40  1  0.880  0.819  0.177  1.0
  F  F41  1  0.203  0.142  0.823  1.0
  F  F42  1  0.642  0.703  0.823  1.0
  F  F43  1  0.319  0.380  0.177  1.0
  F  F44  1  0.380  0.203  0.061  1.0
  F  F45  1  0.142  0.319  0.939  1.0
  F  F46  1  0.353  0.706  0.857  1.0
  F  F47  1  0.849  0.496  0.143  1.0
  F  F48  1  0.706  0.849  0.353  1.0
  F  F49  1  0.853  0.996  0.647  1.0
  F  F50  1  0.496  0.353  0.647  1.0
  F  F51  1  0.349  0.206  0.353  1.0
  F  F52  1  0.206  0.853  0.857  1.0
  F  F53  1  0.996  0.349  0.143  1.0
[/CIF]
.
The material structure described by Pb5Fe3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one F(1), one F(3), two equivalent F(2), and two equivalent F(7) atoms. In the second Fe site, Fe(2) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), one F(4), one F(7), and two equivalent F(6) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent F(4) and four equivalent F(1) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Pb(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Fe(1) and two equivalent Pb(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Pb(2) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Fe(2) atoms. In the sixth F site, F(6) is bonded in a single-bond geometry to one Fe(2) and two equivalent Pb(1) atoms. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one Pb(1) atom. is represented by the CIF file [CIF]
data_Fe3Pb5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.079
_cell_length_b   11.079
_cell_length_c   11.079
_cell_angle_alpha   97.321
_cell_angle_beta   97.321
_cell_angle_gamma   138.172
_symmetry_Int_Tables_number   1
_cell_volume   847.097
_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
  Fe  Fe0  1  0.286  0.109  0.500  1.0
  Fe  Fe1  1  0.609  0.786  0.500  1.0
  Fe  Fe2  1  0.109  0.609  0.822  1.0
  Fe  Fe3  1  0.786  0.286  0.178  1.0
  Fe  Fe4  1  0.749  0.749  0.000  1.0
  Fe  Fe5  1  0.249  0.249  0.000  1.0
  Pb  Pb6  1  0.665  0.963  0.843  1.0
  Pb  Pb7  1  0.120  0.822  0.157  1.0
  Pb  Pb8  1  0.963  0.120  0.298  1.0
  Pb  Pb9  1  0.165  0.322  0.702  1.0
  Pb  Pb10  1  0.822  0.665  0.702  1.0
  Pb  Pb11  1  0.620  0.463  0.298  1.0
  Pb  Pb12  1  0.463  0.165  0.843  1.0
  Pb  Pb13  1  0.322  0.620  0.157  1.0
  Pb  Pb14  1  0.290  0.790  0.500  1.0
  Pb  Pb15  1  0.790  0.290  0.500  1.0
  F  F16  1  0.464  0.109  0.500  1.0
  F  F17  1  0.609  0.964  0.500  1.0
  F  F18  1  0.109  0.609  0.645  1.0
  F  F19  1  0.964  0.464  0.355  1.0
  F  F20  1  0.719  0.091  0.243  1.0
  F  F21  1  0.848  0.476  0.757  1.0
  F  F22  1  0.091  0.848  0.372  1.0
  F  F23  1  0.219  0.976  0.628  1.0
  F  F24  1  0.476  0.719  0.628  1.0
  F  F25  1  0.348  0.591  0.372  1.0
  F  F26  1  0.591  0.219  0.243  1.0
  F  F27  1  0.976  0.348  0.757  1.0
  F  F28  1  0.630  0.629  0.500  1.0
  F  F29  1  0.129  0.130  0.500  1.0
  F  F30  1  0.629  0.129  0.999  1.0
  F  F31  1  0.130  0.630  0.001  1.0
  F  F32  1  0.787  0.517  0.500  1.0
  F  F33  1  0.017  0.287  0.500  1.0
  F  F34  1  0.517  0.017  0.730  1.0
  F  F35  1  0.287  0.787  0.270  1.0
  F  F36  1  0.003  0.003  0.000  1.0
  F  F37  1  0.503  0.503  0.000  1.0
  F  F38  1  0.703  0.880  0.061  1.0
  F  F39  1  0.819  0.642  0.939  1.0
  F  F40  1  0.880  0.819  0.177  1.0
  F  F41  1  0.203  0.142  0.823  1.0
  F  F42  1  0.642  0.703  0.823  1.0
  F  F43  1  0.319  0.380  0.177  1.0
  F  F44  1  0.380  0.203  0.061  1.0
  F  F45  1  0.142  0.319  0.939  1.0
  F  F46  1  0.353  0.706  0.857  1.0
  F  F47  1  0.849  0.496  0.143  1.0
  F  F48  1  0.706  0.849  0.353  1.0
  F  F49  1  0.853  0.996  0.647  1.0
  F  F50  1  0.496  0.353  0.647  1.0
  F  F51  1  0.349  0.206  0.353  1.0
  F  F52  1  0.206  0.853  0.857  1.0
  F  F53  1  0.996  0.349  0.143  1.0
[/CIF]
.