The crystal structure described by Ba2CoFeF9 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(6), one F(7), one F(8), one F(9), two equivalent F(1), two equivalent F(4), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), two equivalent F(6), and two equivalent F(7) atoms. Fe(1) is bonded to one F(3), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share corners with three equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. Co(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(8), and one F(9) atom to form CoF6 octahedra that share corners with three equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. There are nine inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Co(1) atom. In the second F site, F(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the third F site, F(7) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the fourth F site, F(8) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom. In the fifth F site, F(1) is bonded to one Ba(2), two equivalent Ba(1), and one Co(1) atom to form distorted edge-sharing FBa3Co tetrahedra. In the sixth F site, F(9) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom. In the seventh F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Co(1) atom. In the eighth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Fe(1) atom. In the ninth F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Fe(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Ba2FeCoF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.014
_cell_length_b   5.796
_cell_length_c   9.472
_cell_angle_alpha   53.387
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   793.771
_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  0.964  0.953  0.802  1.0
  Ba  Ba1  1  0.464  0.047  0.698  1.0
  Ba  Ba2  1  0.036  0.047  0.198  1.0
  Ba  Ba3  1  0.536  0.953  0.302  1.0
  Ba  Ba4  1  0.717  0.211  0.572  1.0
  Ba  Ba5  1  0.217  0.789  0.928  1.0
  Ba  Ba6  1  0.283  0.789  0.428  1.0
  Ba  Ba7  1  0.783  0.211  0.072  1.0
  Fe  Fe8  1  0.626  0.647  0.088  1.0
  Fe  Fe9  1  0.126  0.353  0.412  1.0
  Fe  Fe10  1  0.374  0.353  0.912  1.0
  Fe  Fe11  1  0.874  0.647  0.588  1.0
  Co  Co12  1  0.913  0.460  0.271  1.0
  Co  Co13  1  0.413  0.540  0.229  1.0
  Co  Co14  1  0.087  0.540  0.729  1.0
  Co  Co15  1  0.587  0.460  0.771  1.0
  F  F16  1  0.585  0.896  0.601  1.0
  F  F17  1  0.085  0.104  0.899  1.0
  F  F18  1  0.415  0.104  0.399  1.0
  F  F19  1  0.915  0.896  0.101  1.0
  F  F20  1  0.805  0.392  0.296  1.0
  F  F21  1  0.305  0.608  0.204  1.0
  F  F22  1  0.195  0.608  0.704  1.0
  F  F23  1  0.695  0.392  0.796  1.0
  F  F24  1  0.709  0.755  0.935  1.0
  F  F25  1  0.209  0.245  0.565  1.0
  F  F26  1  0.291  0.245  0.065  1.0
  F  F27  1  0.791  0.755  0.435  1.0
  F  F28  1  0.533  0.516  0.241  1.0
  F  F29  1  0.033  0.484  0.259  1.0
  F  F30  1  0.467  0.484  0.759  1.0
  F  F31  1  0.967  0.516  0.741  1.0
  F  F32  1  0.918  0.432  0.068  1.0
  F  F33  1  0.418  0.568  0.432  1.0
  F  F34  1  0.082  0.568  0.932  1.0
  F  F35  1  0.582  0.432  0.568  1.0
  F  F36  1  0.835  0.789  0.713  1.0
  F  F37  1  0.335  0.211  0.787  1.0
  F  F38  1  0.165  0.211  0.287  1.0
  F  F39  1  0.665  0.789  0.213  1.0
  F  F40  1  0.664  0.260  0.260  1.0
  F  F41  1  0.164  0.740  0.240  1.0
  F  F42  1  0.336  0.740  0.740  1.0
  F  F43  1  0.836  0.260  0.760  1.0
  F  F44  1  0.923  0.476  0.482  1.0
  F  F45  1  0.423  0.524  0.018  1.0
  F  F46  1  0.077  0.524  0.518  1.0
  F  F47  1  0.577  0.476  0.982  1.0
  F  F48  1  0.571  0.008  0.928  1.0
  F  F49  1  0.071  0.992  0.572  1.0
  F  F50  1  0.429  0.992  0.072  1.0
  F  F51  1  0.929  0.008  0.428  1.0
[/CIF]
.
The crystal structure described by Ba2CoFeF9 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(6), one F(7), one F(8), one F(9), two equivalent F(1), two equivalent F(4), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), two equivalent F(6), and two equivalent F(7) atoms. Fe(1) is bonded to one F(3), one F(4), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share corners with three equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. Co(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(8), and one F(9) atom to form CoF6 octahedra that share corners with three equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. There are nine inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Co(1) atom. In the second F site, F(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the third F site, F(7) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Fe(1) atom. In the fourth F site, F(8) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom. In the fifth F site, F(1) is bonded to one Ba(2), two equivalent Ba(1), and one Co(1) atom to form distorted edge-sharing FBa3Co tetrahedra. In the sixth F site, F(9) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom. In the seventh F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Co(1) atom. In the eighth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Fe(1) atom. In the ninth F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Fe(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Ba2FeCoF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.014
_cell_length_b   5.796
_cell_length_c   9.472
_cell_angle_alpha   53.387
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   793.771
_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  0.964  0.953  0.802  1.0
  Ba  Ba1  1  0.464  0.047  0.698  1.0
  Ba  Ba2  1  0.036  0.047  0.198  1.0
  Ba  Ba3  1  0.536  0.953  0.302  1.0
  Ba  Ba4  1  0.717  0.211  0.572  1.0
  Ba  Ba5  1  0.217  0.789  0.928  1.0
  Ba  Ba6  1  0.283  0.789  0.428  1.0
  Ba  Ba7  1  0.783  0.211  0.072  1.0
  Fe  Fe8  1  0.626  0.647  0.088  1.0
  Fe  Fe9  1  0.126  0.353  0.412  1.0
  Fe  Fe10  1  0.374  0.353  0.912  1.0
  Fe  Fe11  1  0.874  0.647  0.588  1.0
  Co  Co12  1  0.913  0.460  0.271  1.0
  Co  Co13  1  0.413  0.540  0.229  1.0
  Co  Co14  1  0.087  0.540  0.729  1.0
  Co  Co15  1  0.587  0.460  0.771  1.0
  F  F16  1  0.585  0.896  0.601  1.0
  F  F17  1  0.085  0.104  0.899  1.0
  F  F18  1  0.415  0.104  0.399  1.0
  F  F19  1  0.915  0.896  0.101  1.0
  F  F20  1  0.805  0.392  0.296  1.0
  F  F21  1  0.305  0.608  0.204  1.0
  F  F22  1  0.195  0.608  0.704  1.0
  F  F23  1  0.695  0.392  0.796  1.0
  F  F24  1  0.709  0.755  0.935  1.0
  F  F25  1  0.209  0.245  0.565  1.0
  F  F26  1  0.291  0.245  0.065  1.0
  F  F27  1  0.791  0.755  0.435  1.0
  F  F28  1  0.533  0.516  0.241  1.0
  F  F29  1  0.033  0.484  0.259  1.0
  F  F30  1  0.467  0.484  0.759  1.0
  F  F31  1  0.967  0.516  0.741  1.0
  F  F32  1  0.918  0.432  0.068  1.0
  F  F33  1  0.418  0.568  0.432  1.0
  F  F34  1  0.082  0.568  0.932  1.0
  F  F35  1  0.582  0.432  0.568  1.0
  F  F36  1  0.835  0.789  0.713  1.0
  F  F37  1  0.335  0.211  0.787  1.0
  F  F38  1  0.165  0.211  0.287  1.0
  F  F39  1  0.665  0.789  0.213  1.0
  F  F40  1  0.664  0.260  0.260  1.0
  F  F41  1  0.164  0.740  0.240  1.0
  F  F42  1  0.336  0.740  0.740  1.0
  F  F43  1  0.836  0.260  0.760  1.0
  F  F44  1  0.923  0.476  0.482  1.0
  F  F45  1  0.423  0.524  0.018  1.0
  F  F46  1  0.077  0.524  0.518  1.0
  F  F47  1  0.577  0.476  0.982  1.0
  F  F48  1  0.571  0.008  0.928  1.0
  F  F49  1  0.071  0.992  0.572  1.0
  F  F50  1  0.429  0.992  0.072  1.0
  F  F51  1  0.929  0.008  0.428  1.0
[/CIF]
.