The material structure described by BaFeCdF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(4), one F(7), two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form FeF6 octahedra that share corners with two equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form CdF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Cd(2) atom. In the third F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Cd(2) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Cd(1) atom. In the fifth F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Cd(1), and one Cd(2) atom. In the sixth F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one Cd(1) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_BaCdFeF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.551
_cell_length_b   7.551
_cell_length_c   15.295
_cell_angle_alpha   88.213
_cell_angle_beta   88.213
_cell_angle_gamma   42.903
_symmetry_Int_Tables_number   1
_cell_volume   593.413
_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  0.650  0.732  0.877  1.0
  Ba  Ba1  1  0.350  0.268  0.123  1.0
  Ba  Ba2  1  0.268  0.350  0.623  1.0
  Ba  Ba3  1  0.732  0.650  0.377  1.0
  Cd  Cd4  1  0.000  0.000  0.500  1.0
  Cd  Cd5  1  0.000  0.000  0.000  1.0
  Cd  Cd6  1  0.952  0.048  0.750  1.0
  Cd  Cd7  1  0.048  0.952  0.250  1.0
  Fe  Fe8  1  0.382  0.374  0.875  1.0
  Fe  Fe9  1  0.618  0.626  0.125  1.0
  Fe  Fe10  1  0.626  0.618  0.625  1.0
  Fe  Fe11  1  0.374  0.382  0.375  1.0
  F  F12  1  0.428  0.745  0.517  1.0
  F  F13  1  0.572  0.255  0.483  1.0
  F  F14  1  0.255  0.572  0.983  1.0
  F  F15  1  0.745  0.428  0.017  1.0
  F  F16  1  0.687  0.817  0.592  1.0
  F  F17  1  0.313  0.183  0.408  1.0
  F  F18  1  0.183  0.313  0.908  1.0
  F  F19  1  0.817  0.687  0.092  1.0
  F  F20  1  0.547  0.122  0.778  1.0
  F  F21  1  0.453  0.878  0.222  1.0
  F  F22  1  0.878  0.453  0.722  1.0
  F  F23  1  0.122  0.547  0.278  1.0
  F  F24  1  0.604  0.383  0.656  1.0
  F  F25  1  0.396  0.617  0.344  1.0
  F  F26  1  0.617  0.396  0.844  1.0
  F  F27  1  0.383  0.604  0.156  1.0
  F  F28  1  0.345  0.899  0.701  1.0
  F  F29  1  0.655  0.101  0.299  1.0
  F  F30  1  0.101  0.655  0.799  1.0
  F  F31  1  0.899  0.345  0.201  1.0
  F  F32  1  0.664  0.063  0.951  1.0
  F  F33  1  0.336  0.937  0.049  1.0
  F  F34  1  0.937  0.336  0.549  1.0
  F  F35  1  0.063  0.664  0.451  1.0
  F  F36  1  0.837  0.037  0.129  1.0
  F  F37  1  0.163  0.963  0.871  1.0
  F  F38  1  0.963  0.163  0.371  1.0
  F  F39  1  0.037  0.837  0.629  1.0
[/CIF]
.
The material structure described by BaFeCdF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(4), one F(7), two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form FeF6 octahedra that share corners with two equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form CdF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Cd(2) atom. In the third F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Cd(2) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Cd(1) atom. In the fifth F site, F(7) is bonded in a trigonal planar geometry to one Ba(1), one Cd(1), and one Cd(2) atom. In the sixth F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one Cd(1) atom. In the seventh F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_BaCdFeF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.551
_cell_length_b   7.551
_cell_length_c   15.295
_cell_angle_alpha   88.213
_cell_angle_beta   88.213
_cell_angle_gamma   42.903
_symmetry_Int_Tables_number   1
_cell_volume   593.413
_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  0.650  0.732  0.877  1.0
  Ba  Ba1  1  0.350  0.268  0.123  1.0
  Ba  Ba2  1  0.268  0.350  0.623  1.0
  Ba  Ba3  1  0.732  0.650  0.377  1.0
  Cd  Cd4  1  0.000  0.000  0.500  1.0
  Cd  Cd5  1  0.000  0.000  0.000  1.0
  Cd  Cd6  1  0.952  0.048  0.750  1.0
  Cd  Cd7  1  0.048  0.952  0.250  1.0
  Fe  Fe8  1  0.382  0.374  0.875  1.0
  Fe  Fe9  1  0.618  0.626  0.125  1.0
  Fe  Fe10  1  0.626  0.618  0.625  1.0
  Fe  Fe11  1  0.374  0.382  0.375  1.0
  F  F12  1  0.428  0.745  0.517  1.0
  F  F13  1  0.572  0.255  0.483  1.0
  F  F14  1  0.255  0.572  0.983  1.0
  F  F15  1  0.745  0.428  0.017  1.0
  F  F16  1  0.687  0.817  0.592  1.0
  F  F17  1  0.313  0.183  0.408  1.0
  F  F18  1  0.183  0.313  0.908  1.0
  F  F19  1  0.817  0.687  0.092  1.0
  F  F20  1  0.547  0.122  0.778  1.0
  F  F21  1  0.453  0.878  0.222  1.0
  F  F22  1  0.878  0.453  0.722  1.0
  F  F23  1  0.122  0.547  0.278  1.0
  F  F24  1  0.604  0.383  0.656  1.0
  F  F25  1  0.396  0.617  0.344  1.0
  F  F26  1  0.617  0.396  0.844  1.0
  F  F27  1  0.383  0.604  0.156  1.0
  F  F28  1  0.345  0.899  0.701  1.0
  F  F29  1  0.655  0.101  0.299  1.0
  F  F30  1  0.101  0.655  0.799  1.0
  F  F31  1  0.899  0.345  0.201  1.0
  F  F32  1  0.664  0.063  0.951  1.0
  F  F33  1  0.336  0.937  0.049  1.0
  F  F34  1  0.937  0.336  0.549  1.0
  F  F35  1  0.063  0.664  0.451  1.0
  F  F36  1  0.837  0.037  0.129  1.0
  F  F37  1  0.163  0.963  0.871  1.0
  F  F38  1  0.963  0.163  0.371  1.0
  F  F39  1  0.037  0.837  0.629  1.0
[/CIF]
.