The compound described by NaBaFe2F9 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(9), two equivalent F(3), and two equivalent F(8) atoms. Ba(1) is bonded in a 10-coordinate geometry to one F(5), one F(8), two equivalent F(2), two equivalent F(4), two equivalent F(7), and two equivalent F(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(3), one F(5), one F(6), one F(7), and one F(8) atom to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second Fe site, Fe(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are nine inequivalent F sites. In the first F site, F(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Ba(1), and one Fe(1) atom. In the second 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 third F site, F(7) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(1) atom. In the fourth F site, F(8) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Ba(1), and one Fe(1) atom. In the fifth F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Fe(2) atom. In the sixth F site, F(9) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one Fe(2) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(2) atom. In the eighth F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Fe(1), and one Fe(2) atom. In the ninth F site, F(4) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaFe2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.767
_cell_length_b   5.583
_cell_length_c   9.125
_cell_angle_alpha   54.610
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.887
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.714  0.347  0.936  1.0
  Ba  Ba1  1  0.214  0.653  0.564  1.0
  Ba  Ba2  1  0.286  0.653  0.064  1.0
  Ba  Ba3  1  0.786  0.347  0.436  1.0
  Na  Na4  1  0.963  0.534  0.703  1.0
  Na  Na5  1  0.463  0.466  0.797  1.0
  Na  Na6  1  0.537  0.534  0.203  1.0
  Na  Na7  1  0.037  0.466  0.297  1.0
  Fe  Fe8  1  0.581  0.013  0.730  1.0
  Fe  Fe9  1  0.123  0.188  0.090  1.0
  Fe  Fe10  1  0.877  0.812  0.910  1.0
  Fe  Fe11  1  0.377  0.188  0.590  1.0
  Fe  Fe12  1  0.919  0.013  0.230  1.0
  Fe  Fe13  1  0.419  0.987  0.270  1.0
  Fe  Fe14  1  0.623  0.812  0.410  1.0
  Fe  Fe15  1  0.081  0.987  0.770  1.0
  F  F16  1  0.932  0.825  0.096  1.0
  F  F17  1  0.432  0.175  0.404  1.0
  F  F18  1  0.068  0.175  0.904  1.0
  F  F19  1  0.568  0.825  0.596  1.0
  F  F20  1  0.793  0.610  0.069  1.0
  F  F21  1  0.293  0.390  0.431  1.0
  F  F22  1  0.207  0.390  0.931  1.0
  F  F23  1  0.707  0.610  0.569  1.0
  F  F24  1  0.531  0.996  0.260  1.0
  F  F25  1  0.031  0.004  0.240  1.0
  F  F26  1  0.469  0.004  0.740  1.0
  F  F27  1  0.969  0.996  0.760  1.0
  F  F28  1  0.666  0.194  0.303  1.0
  F  F29  1  0.166  0.806  0.197  1.0
  F  F30  1  0.334  0.806  0.697  1.0
  F  F31  1  0.834  0.194  0.803  1.0
  F  F32  1  0.581  0.187  0.858  1.0
  F  F33  1  0.081  0.813  0.642  1.0
  F  F34  1  0.419  0.813  0.142  1.0
  F  F35  1  0.919  0.187  0.358  1.0
  F  F36  1  0.076  0.585  0.003  1.0
  F  F37  1  0.576  0.415  0.497  1.0
  F  F38  1  0.924  0.415  0.997  1.0
  F  F39  1  0.424  0.585  0.503  1.0
  F  F40  1  0.688  0.992  0.714  1.0
  F  F41  1  0.188  0.008  0.786  1.0
  F  F42  1  0.312  0.008  0.286  1.0
  F  F43  1  0.812  0.992  0.214  1.0
  F  F44  1  0.083  0.381  0.555  1.0
  F  F45  1  0.583  0.619  0.945  1.0
  F  F46  1  0.917  0.619  0.445  1.0
  F  F47  1  0.417  0.381  0.055  1.0
  F  F48  1  0.835  0.790  0.724  1.0
  F  F49  1  0.335  0.210  0.776  1.0
  F  F50  1  0.165  0.210  0.276  1.0
  F  F51  1  0.665  0.790  0.224  1.0
[/CIF]
.
The compound described by NaBaFe2F9 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(9), two equivalent F(3), and two equivalent F(8) atoms. Ba(1) is bonded in a 10-coordinate geometry to one F(5), one F(8), two equivalent F(2), two equivalent F(4), two equivalent F(7), and two equivalent F(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(1), one F(3), one F(5), one F(6), one F(7), and one F(8) atom to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second Fe site, Fe(2) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are nine inequivalent F sites. In the first F site, F(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Ba(1), and one Fe(1) atom. In the second 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 third F site, F(7) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(1) atom. In the fourth F site, F(8) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Ba(1), and one Fe(1) atom. In the fifth F site, F(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Fe(2) atom. In the sixth F site, F(9) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one Fe(2) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(2) atom. In the eighth F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Fe(1), and one Fe(2) atom. In the ninth F site, F(4) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ba(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaFe2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.767
_cell_length_b   5.583
_cell_length_c   9.125
_cell_angle_alpha   54.610
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.887
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.714  0.347  0.936  1.0
  Ba  Ba1  1  0.214  0.653  0.564  1.0
  Ba  Ba2  1  0.286  0.653  0.064  1.0
  Ba  Ba3  1  0.786  0.347  0.436  1.0
  Na  Na4  1  0.963  0.534  0.703  1.0
  Na  Na5  1  0.463  0.466  0.797  1.0
  Na  Na6  1  0.537  0.534  0.203  1.0
  Na  Na7  1  0.037  0.466  0.297  1.0
  Fe  Fe8  1  0.581  0.013  0.730  1.0
  Fe  Fe9  1  0.123  0.188  0.090  1.0
  Fe  Fe10  1  0.877  0.812  0.910  1.0
  Fe  Fe11  1  0.377  0.188  0.590  1.0
  Fe  Fe12  1  0.919  0.013  0.230  1.0
  Fe  Fe13  1  0.419  0.987  0.270  1.0
  Fe  Fe14  1  0.623  0.812  0.410  1.0
  Fe  Fe15  1  0.081  0.987  0.770  1.0
  F  F16  1  0.932  0.825  0.096  1.0
  F  F17  1  0.432  0.175  0.404  1.0
  F  F18  1  0.068  0.175  0.904  1.0
  F  F19  1  0.568  0.825  0.596  1.0
  F  F20  1  0.793  0.610  0.069  1.0
  F  F21  1  0.293  0.390  0.431  1.0
  F  F22  1  0.207  0.390  0.931  1.0
  F  F23  1  0.707  0.610  0.569  1.0
  F  F24  1  0.531  0.996  0.260  1.0
  F  F25  1  0.031  0.004  0.240  1.0
  F  F26  1  0.469  0.004  0.740  1.0
  F  F27  1  0.969  0.996  0.760  1.0
  F  F28  1  0.666  0.194  0.303  1.0
  F  F29  1  0.166  0.806  0.197  1.0
  F  F30  1  0.334  0.806  0.697  1.0
  F  F31  1  0.834  0.194  0.803  1.0
  F  F32  1  0.581  0.187  0.858  1.0
  F  F33  1  0.081  0.813  0.642  1.0
  F  F34  1  0.419  0.813  0.142  1.0
  F  F35  1  0.919  0.187  0.358  1.0
  F  F36  1  0.076  0.585  0.003  1.0
  F  F37  1  0.576  0.415  0.497  1.0
  F  F38  1  0.924  0.415  0.997  1.0
  F  F39  1  0.424  0.585  0.503  1.0
  F  F40  1  0.688  0.992  0.714  1.0
  F  F41  1  0.188  0.008  0.786  1.0
  F  F42  1  0.312  0.008  0.286  1.0
  F  F43  1  0.812  0.992  0.214  1.0
  F  F44  1  0.083  0.381  0.555  1.0
  F  F45  1  0.583  0.619  0.945  1.0
  F  F46  1  0.917  0.619  0.445  1.0
  F  F47  1  0.417  0.381  0.055  1.0
  F  F48  1  0.835  0.790  0.724  1.0
  F  F49  1  0.335  0.210  0.776  1.0
  F  F50  1  0.165  0.210  0.276  1.0
  F  F51  1  0.665  0.790  0.224  1.0
[/CIF]
.