The structure described by Na5Fe3F14 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(6), and two equivalent F(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and two equivalent F(7) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), two equivalent F(5), and two equivalent F(7) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Fe site, Fe(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the third Fe site, Fe(3) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), one Na(3), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one Fe(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(1), and one Fe(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(1), and one Fe(2) atom. In the seventh F site, F(7) is bonded to one Na(3), two equivalent Na(2), and one Fe(1) atom to form distorted corner-sharing FNa3Fe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Fe3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.429
_cell_length_b   7.529
_cell_length_c   12.879
_cell_angle_alpha   55.223
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   591.632
_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
  Na  Na0  1  0.698  0.994  0.247  1.0
  Na  Na1  1  0.802  0.994  0.747  1.0
  Na  Na2  1  0.302  0.006  0.753  1.0
  Na  Na3  1  0.254  0.511  0.262  1.0
  Na  Na4  1  0.754  0.489  0.238  1.0
  Na  Na5  1  0.246  0.511  0.762  1.0
  Na  Na6  1  0.000  0.500  0.500  1.0
  Na  Na7  1  0.500  0.500  0.000  1.0
  Na  Na8  1  0.746  0.489  0.738  1.0
  Na  Na9  1  0.198  0.006  0.253  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.500  0.000  0.500  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.000  0.500  0.000  1.0
  Fe  Fe14  1  0.000  0.000  0.000  1.0
  Fe  Fe15  1  0.500  0.500  0.500  1.0
  F  F16  1  0.291  0.644  0.391  1.0
  F  F17  1  0.573  0.749  0.503  1.0
  F  F18  1  0.338  0.386  0.643  1.0
  F  F19  1  0.060  0.812  0.176  1.0
  F  F20  1  0.209  0.644  0.891  1.0
  F  F21  1  0.436  0.049  0.128  1.0
  F  F22  1  0.838  0.614  0.857  1.0
  F  F23  1  0.064  0.049  0.628  1.0
  F  F24  1  0.791  0.356  0.109  1.0
  F  F25  1  0.247  0.993  0.946  1.0
  F  F26  1  0.936  0.951  0.372  1.0
  F  F27  1  0.662  0.614  0.357  1.0
  F  F28  1  0.994  0.315  0.382  1.0
  F  F29  1  0.006  0.685  0.618  1.0
  F  F30  1  0.073  0.251  0.997  1.0
  F  F31  1  0.506  0.315  0.882  1.0
  F  F32  1  0.560  0.188  0.324  1.0
  F  F33  1  0.709  0.356  0.609  1.0
  F  F34  1  0.440  0.812  0.676  1.0
  F  F35  1  0.427  0.251  0.497  1.0
  F  F36  1  0.753  0.007  0.054  1.0
  F  F37  1  0.253  0.993  0.446  1.0
  F  F38  1  0.494  0.685  0.118  1.0
  F  F39  1  0.940  0.188  0.824  1.0
  F  F40  1  0.927  0.749  0.003  1.0
  F  F41  1  0.162  0.386  0.143  1.0
  F  F42  1  0.564  0.951  0.872  1.0
  F  F43  1  0.747  0.007  0.554  1.0
[/CIF]
.
The structure described by Na5Fe3F14 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(6), and two equivalent F(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and two equivalent F(7) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), two equivalent F(5), and two equivalent F(7) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Fe site, Fe(2) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the third Fe site, Fe(3) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one Fe(3) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Fe(2), and one Fe(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), one Na(3), and one Fe(3) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one Fe(2) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(1), and one Fe(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Na(1), one Fe(1), and one Fe(2) atom. In the seventh F site, F(7) is bonded to one Na(3), two equivalent Na(2), and one Fe(1) atom to form distorted corner-sharing FNa3Fe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Fe3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.429
_cell_length_b   7.529
_cell_length_c   12.879
_cell_angle_alpha   55.223
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   591.632
_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
  Na  Na0  1  0.698  0.994  0.247  1.0
  Na  Na1  1  0.802  0.994  0.747  1.0
  Na  Na2  1  0.302  0.006  0.753  1.0
  Na  Na3  1  0.254  0.511  0.262  1.0
  Na  Na4  1  0.754  0.489  0.238  1.0
  Na  Na5  1  0.246  0.511  0.762  1.0
  Na  Na6  1  0.000  0.500  0.500  1.0
  Na  Na7  1  0.500  0.500  0.000  1.0
  Na  Na8  1  0.746  0.489  0.738  1.0
  Na  Na9  1  0.198  0.006  0.253  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.500  0.000  0.500  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.000  0.500  0.000  1.0
  Fe  Fe14  1  0.000  0.000  0.000  1.0
  Fe  Fe15  1  0.500  0.500  0.500  1.0
  F  F16  1  0.291  0.644  0.391  1.0
  F  F17  1  0.573  0.749  0.503  1.0
  F  F18  1  0.338  0.386  0.643  1.0
  F  F19  1  0.060  0.812  0.176  1.0
  F  F20  1  0.209  0.644  0.891  1.0
  F  F21  1  0.436  0.049  0.128  1.0
  F  F22  1  0.838  0.614  0.857  1.0
  F  F23  1  0.064  0.049  0.628  1.0
  F  F24  1  0.791  0.356  0.109  1.0
  F  F25  1  0.247  0.993  0.946  1.0
  F  F26  1  0.936  0.951  0.372  1.0
  F  F27  1  0.662  0.614  0.357  1.0
  F  F28  1  0.994  0.315  0.382  1.0
  F  F29  1  0.006  0.685  0.618  1.0
  F  F30  1  0.073  0.251  0.997  1.0
  F  F31  1  0.506  0.315  0.882  1.0
  F  F32  1  0.560  0.188  0.324  1.0
  F  F33  1  0.709  0.356  0.609  1.0
  F  F34  1  0.440  0.812  0.676  1.0
  F  F35  1  0.427  0.251  0.497  1.0
  F  F36  1  0.753  0.007  0.054  1.0
  F  F37  1  0.253  0.993  0.446  1.0
  F  F38  1  0.494  0.685  0.118  1.0
  F  F39  1  0.940  0.188  0.824  1.0
  F  F40  1  0.927  0.749  0.003  1.0
  F  F41  1  0.162  0.386  0.143  1.0
  F  F42  1  0.564  0.951  0.872  1.0
  F  F43  1  0.747  0.007  0.554  1.0
[/CIF]
.