The material structure described by Ba2YCu2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), 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(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. Y(1) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one F(1), one F(10), one F(6), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted water-like geometry to one Y(1) and one Cu(2) atom. In the second F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Cu(1), and one Cu(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Cu(1) atom. In the fifth F site, F(3) is bonded to one Ba(1), one Ba(2), one Y(1), and one Cu(1) atom to form distorted corner-sharing FBa2YCu tetrahedra. In the sixth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cu(1) atom. In the seventh F site, F(5) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Y(1) atom. In the eighth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Cu(1), and one Cu(2) atom. In the ninth F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Cu(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FBaYCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YCu2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.837
_cell_length_b   7.837
_cell_length_c   14.048
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   747.120
_cell_formula_units_Z   3
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  0.894  0.868  0.669  1.0
  Ba  Ba1  1  0.519  0.186  0.811  1.0
  Ba  Ba2  1  0.975  0.106  0.002  1.0
  Ba  Ba3  1  0.814  0.334  0.477  1.0
  Ba  Ba4  1  0.666  0.481  0.144  1.0
  Ba  Ba5  1  0.132  0.025  0.335  1.0
  Y  Y6  1  0.479  0.666  0.884  1.0
  Y  Y7  1  0.187  0.521  0.217  1.0
  Y  Y8  1  0.334  0.813  0.550  1.0
  Cu  Cu9  1  0.976  0.662  0.890  1.0
  Cu  Cu10  1  0.109  0.420  0.719  1.0
  Cu  Cu11  1  0.580  0.689  0.386  1.0
  Cu  Cu12  1  0.685  0.024  0.224  1.0
  Cu  Cu13  1  0.311  0.891  0.052  1.0
  Cu  Cu14  1  0.338  0.315  0.557  1.0
  F  F15  1  0.030  0.768  0.022  1.0
  F  F16  1  0.845  0.393  0.931  1.0
  F  F17  1  0.739  0.970  0.355  1.0
  F  F18  1  0.426  0.090  0.474  1.0
  F  F19  1  0.867  0.946  0.180  1.0
  F  F20  1  0.258  0.287  0.183  1.0
  F  F21  1  0.910  0.336  0.141  1.0
  F  F22  1  0.713  0.971  0.850  1.0
  F  F23  1  0.079  0.133  0.514  1.0
  F  F24  1  0.578  0.999  0.094  1.0
  F  F25  1  0.664  0.574  0.807  1.0
  F  F26  1  0.232  0.261  0.689  1.0
  F  F27  1  0.664  0.697  0.002  1.0
  F  F28  1  0.365  0.149  0.021  1.0
  F  F29  1  0.033  0.336  0.336  1.0
  F  F30  1  0.607  0.452  0.597  1.0
  F  F31  1  0.332  0.835  0.898  1.0
  F  F32  1  0.421  0.422  0.428  1.0
  F  F33  1  0.346  0.722  0.395  1.0
  F  F34  1  0.303  0.967  0.669  1.0
  F  F35  1  0.377  0.654  0.729  1.0
  F  F36  1  0.851  0.215  0.687  1.0
  F  F37  1  0.785  0.635  0.354  1.0
  F  F38  1  0.504  0.668  0.231  1.0
  F  F39  1  0.001  0.579  0.761  1.0
  F  F40  1  0.054  0.921  0.847  1.0
  F  F41  1  0.548  0.155  0.264  1.0
  F  F42  1  0.252  0.359  0.885  1.0
  F  F43  1  0.107  0.748  0.219  1.0
  F  F44  1  0.278  0.623  0.062  1.0
  F  F45  1  0.029  0.742  0.517  1.0
  F  F46  1  0.165  0.496  0.564  1.0
  F  F47  1  0.641  0.893  0.552  1.0
[/CIF]
.
The material structure described by Ba2YCu2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), 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(11), one F(2), one F(3), one F(4), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. Y(1) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(3), one F(5), one F(7), and one F(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(9) atom. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one F(1), one F(10), one F(6), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted water-like geometry to one Y(1) and one Cu(2) atom. In the second F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Cu(1), and one Cu(2) atom. In the fourth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Cu(1) atom. In the fifth F site, F(3) is bonded to one Ba(1), one Ba(2), one Y(1), and one Cu(1) atom to form distorted corner-sharing FBa2YCu tetrahedra. In the sixth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Cu(1) atom. In the seventh F site, F(5) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Y(1) atom. In the eighth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Cu(1), and one Cu(2) atom. In the ninth F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one Cu(2) atom. In the eleventh F site, F(9) is bonded to one Ba(2), one Y(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FBaYCu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YCu2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.837
_cell_length_b   7.837
_cell_length_c   14.048
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   747.120
_cell_formula_units_Z   3
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  0.894  0.868  0.669  1.0
  Ba  Ba1  1  0.519  0.186  0.811  1.0
  Ba  Ba2  1  0.975  0.106  0.002  1.0
  Ba  Ba3  1  0.814  0.334  0.477  1.0
  Ba  Ba4  1  0.666  0.481  0.144  1.0
  Ba  Ba5  1  0.132  0.025  0.335  1.0
  Y  Y6  1  0.479  0.666  0.884  1.0
  Y  Y7  1  0.187  0.521  0.217  1.0
  Y  Y8  1  0.334  0.813  0.550  1.0
  Cu  Cu9  1  0.976  0.662  0.890  1.0
  Cu  Cu10  1  0.109  0.420  0.719  1.0
  Cu  Cu11  1  0.580  0.689  0.386  1.0
  Cu  Cu12  1  0.685  0.024  0.224  1.0
  Cu  Cu13  1  0.311  0.891  0.052  1.0
  Cu  Cu14  1  0.338  0.315  0.557  1.0
  F  F15  1  0.030  0.768  0.022  1.0
  F  F16  1  0.845  0.393  0.931  1.0
  F  F17  1  0.739  0.970  0.355  1.0
  F  F18  1  0.426  0.090  0.474  1.0
  F  F19  1  0.867  0.946  0.180  1.0
  F  F20  1  0.258  0.287  0.183  1.0
  F  F21  1  0.910  0.336  0.141  1.0
  F  F22  1  0.713  0.971  0.850  1.0
  F  F23  1  0.079  0.133  0.514  1.0
  F  F24  1  0.578  0.999  0.094  1.0
  F  F25  1  0.664  0.574  0.807  1.0
  F  F26  1  0.232  0.261  0.689  1.0
  F  F27  1  0.664  0.697  0.002  1.0
  F  F28  1  0.365  0.149  0.021  1.0
  F  F29  1  0.033  0.336  0.336  1.0
  F  F30  1  0.607  0.452  0.597  1.0
  F  F31  1  0.332  0.835  0.898  1.0
  F  F32  1  0.421  0.422  0.428  1.0
  F  F33  1  0.346  0.722  0.395  1.0
  F  F34  1  0.303  0.967  0.669  1.0
  F  F35  1  0.377  0.654  0.729  1.0
  F  F36  1  0.851  0.215  0.687  1.0
  F  F37  1  0.785  0.635  0.354  1.0
  F  F38  1  0.504  0.668  0.231  1.0
  F  F39  1  0.001  0.579  0.761  1.0
  F  F40  1  0.054  0.921  0.847  1.0
  F  F41  1  0.548  0.155  0.264  1.0
  F  F42  1  0.252  0.359  0.885  1.0
  F  F43  1  0.107  0.748  0.219  1.0
  F  F44  1  0.278  0.623  0.062  1.0
  F  F45  1  0.029  0.742  0.517  1.0
  F  F46  1  0.165  0.496  0.564  1.0
  F  F47  1  0.641  0.893  0.552  1.0
[/CIF]
.