The structure described by Ba2Fe2CuZnF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(6), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CuF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. In the second F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Fe(1), and one Zn(1) atom. In the third F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Fe(1), and one Cu(1) atom. In the fourth F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one Zn(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Cu(1) atom. In the sixth F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. In the seventh F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2ZnFe2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.497
_cell_length_b   7.497
_cell_length_c   14.704
_cell_angle_alpha   88.513
_cell_angle_beta   88.513
_cell_angle_gamma   41.349
_symmetry_Int_Tables_number   1
_cell_volume   545.746
_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
  Ba  Ba0  1  0.737  0.889  0.624  1.0
  Ba  Ba1  1  0.889  0.737  0.124  1.0
  Ba  Ba2  1  0.263  0.111  0.376  1.0
  Ba  Ba3  1  0.111  0.263  0.876  1.0
  Zn  Zn4  1  0.429  0.571  0.750  1.0
  Zn  Zn5  1  0.571  0.429  0.250  1.0
  Fe  Fe6  1  0.857  0.906  0.874  1.0
  Fe  Fe7  1  0.143  0.094  0.126  1.0
  Fe  Fe8  1  0.906  0.857  0.374  1.0
  Fe  Fe9  1  0.094  0.143  0.626  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  F  F12  1  0.907  0.110  0.339  1.0
  F  F13  1  0.590  0.133  0.456  1.0
  F  F14  1  0.410  0.867  0.544  1.0
  F  F15  1  0.152  0.352  0.598  1.0
  F  F16  1  0.517  0.390  0.623  1.0
  F  F17  1  0.610  0.483  0.877  1.0
  F  F18  1  0.133  0.590  0.956  1.0
  F  F19  1  0.890  0.093  0.161  1.0
  F  F20  1  0.036  0.638  0.776  1.0
  F  F21  1  0.848  0.648  0.402  1.0
  F  F22  1  0.577  0.197  0.788  1.0
  F  F23  1  0.648  0.848  0.902  1.0
  F  F24  1  0.197  0.577  0.288  1.0
  F  F25  1  0.423  0.803  0.212  1.0
  F  F26  1  0.390  0.517  0.122  1.0
  F  F27  1  0.964  0.362  0.224  1.0
  F  F28  1  0.282  0.880  0.015  1.0
  F  F29  1  0.093  0.890  0.661  1.0
  F  F30  1  0.718  0.120  0.985  1.0
  F  F31  1  0.880  0.282  0.515  1.0
  F  F32  1  0.867  0.410  0.044  1.0
  F  F33  1  0.803  0.423  0.712  1.0
  F  F34  1  0.638  0.036  0.276  1.0
  F  F35  1  0.120  0.718  0.485  1.0
  F  F36  1  0.483  0.610  0.378  1.0
  F  F37  1  0.110  0.907  0.839  1.0
  F  F38  1  0.362  0.964  0.724  1.0
  F  F39  1  0.352  0.152  0.098  1.0
[/CIF]
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The structure described by Ba2Fe2CuZnF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(6), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CuF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. In the second F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Fe(1), and one Zn(1) atom. In the third F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Fe(1), and one Cu(1) atom. In the fourth F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Fe(1), and one Zn(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Cu(1) atom. In the sixth F site, F(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Fe(1) atom. In the seventh F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2ZnFe2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.497
_cell_length_b   7.497
_cell_length_c   14.704
_cell_angle_alpha   88.513
_cell_angle_beta   88.513
_cell_angle_gamma   41.349
_symmetry_Int_Tables_number   1
_cell_volume   545.746
_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
  Ba  Ba0  1  0.737  0.889  0.624  1.0
  Ba  Ba1  1  0.889  0.737  0.124  1.0
  Ba  Ba2  1  0.263  0.111  0.376  1.0
  Ba  Ba3  1  0.111  0.263  0.876  1.0
  Zn  Zn4  1  0.429  0.571  0.750  1.0
  Zn  Zn5  1  0.571  0.429  0.250  1.0
  Fe  Fe6  1  0.857  0.906  0.874  1.0
  Fe  Fe7  1  0.143  0.094  0.126  1.0
  Fe  Fe8  1  0.906  0.857  0.374  1.0
  Fe  Fe9  1  0.094  0.143  0.626  1.0
  Cu  Cu10  1  0.500  0.500  0.000  1.0
  Cu  Cu11  1  0.500  0.500  0.500  1.0
  F  F12  1  0.907  0.110  0.339  1.0
  F  F13  1  0.590  0.133  0.456  1.0
  F  F14  1  0.410  0.867  0.544  1.0
  F  F15  1  0.152  0.352  0.598  1.0
  F  F16  1  0.517  0.390  0.623  1.0
  F  F17  1  0.610  0.483  0.877  1.0
  F  F18  1  0.133  0.590  0.956  1.0
  F  F19  1  0.890  0.093  0.161  1.0
  F  F20  1  0.036  0.638  0.776  1.0
  F  F21  1  0.848  0.648  0.402  1.0
  F  F22  1  0.577  0.197  0.788  1.0
  F  F23  1  0.648  0.848  0.902  1.0
  F  F24  1  0.197  0.577  0.288  1.0
  F  F25  1  0.423  0.803  0.212  1.0
  F  F26  1  0.390  0.517  0.122  1.0
  F  F27  1  0.964  0.362  0.224  1.0
  F  F28  1  0.282  0.880  0.015  1.0
  F  F29  1  0.093  0.890  0.661  1.0
  F  F30  1  0.718  0.120  0.985  1.0
  F  F31  1  0.880  0.282  0.515  1.0
  F  F32  1  0.867  0.410  0.044  1.0
  F  F33  1  0.803  0.423  0.712  1.0
  F  F34  1  0.638  0.036  0.276  1.0
  F  F35  1  0.120  0.718  0.485  1.0
  F  F36  1  0.483  0.610  0.378  1.0
  F  F37  1  0.110  0.907  0.839  1.0
  F  F38  1  0.362  0.964  0.724  1.0
  F  F39  1  0.352  0.152  0.098  1.0
[/CIF]
.