The crystal structure described by Ba2YNi2F11 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. Y(1) is bonded in a 7-coordinate geometry to one F(11), one F(3), one F(5), one F(7), one F(9), and two equivalent F(10) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) 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 a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ni site, Ni(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted T-shaped geometry to two equivalent Y(1) and one Ni(2) atom. In the second F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Y(1), and one Ni(2) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Ni(1), and one Ni(2) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ni(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and one Ni(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Ni(1) atom. In the seventh F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), 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 Ni(1), and one Ni(2) atom. In the ninth F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ni(2) atom. In the eleventh F site, F(9) is bonded in a distorted tetrahedral geometry to one Ba(2), one Y(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YNi2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   7.860
_cell_length_c   13.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   722.417
_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  0.886  0.854  0.664  1.0
  Ba  Ba1  1  0.520  0.196  0.817  1.0
  Ba  Ba2  1  0.968  0.114  0.998  1.0
  Ba  Ba3  1  0.804  0.324  0.484  1.0
  Ba  Ba4  1  0.676  0.480  0.151  1.0
  Ba  Ba5  1  0.146  0.032  0.331  1.0
  Y  Y6  1  0.460  0.668  0.895  1.0
  Y  Y7  1  0.209  0.540  0.228  1.0
  Y  Y8  1  0.332  0.791  0.561  1.0
  Ni  Ni9  1  0.967  0.664  0.883  1.0
  Ni  Ni10  1  0.118  0.403  0.719  1.0
  Ni  Ni11  1  0.597  0.715  0.385  1.0
  Ni  Ni12  1  0.697  0.033  0.216  1.0
  Ni  Ni13  1  0.285  0.882  0.052  1.0
  Ni  Ni14  1  0.336  0.303  0.549  1.0
  F  F15  1  0.999  0.760  0.024  1.0
  F  F16  1  0.847  0.389  0.932  1.0
  F  F17  1  0.761  0.001  0.357  1.0
  F  F18  1  0.417  0.090  0.497  1.0
  F  F19  1  0.899  0.965  0.177  1.0
  F  F20  1  0.290  0.322  0.193  1.0
  F  F21  1  0.910  0.327  0.164  1.0
  F  F22  1  0.678  0.968  0.860  1.0
  F  F23  1  0.066  0.101  0.510  1.0
  F  F24  1  0.576  0.000  0.079  1.0
  F  F25  1  0.673  0.583  0.831  1.0
  F  F26  1  0.240  0.239  0.690  1.0
  F  F27  1  0.635  0.682  0.016  1.0
  F  F28  1  0.348  0.153  0.011  1.0
  F  F29  1  0.047  0.365  0.349  1.0
  F  F30  1  0.611  0.458  0.598  1.0
  F  F31  1  0.285  0.819  0.902  1.0
  F  F32  1  0.424  0.424  0.412  1.0
  F  F33  1  0.339  0.738  0.389  1.0
  F  F34  1  0.318  0.953  0.682  1.0
  F  F35  1  0.400  0.661  0.723  1.0
  F  F36  1  0.847  0.194  0.677  1.0
  F  F37  1  0.806  0.652  0.344  1.0
  F  F38  1  0.533  0.715  0.235  1.0
  F  F39  1  1.000  0.576  0.745  1.0
  F  F40  1  0.035  0.934  0.843  1.0
  F  F41  1  0.542  0.153  0.265  1.0
  F  F42  1  0.199  0.381  0.862  1.0
  F  F43  1  0.182  0.801  0.196  1.0
  F  F44  1  0.262  0.600  0.056  1.0
  F  F45  1  0.032  0.710  0.526  1.0
  F  F46  1  0.181  0.467  0.568  1.0
  F  F47  1  0.619  0.818  0.529  1.0
[/CIF]
.
The crystal structure described by Ba2YNi2F11 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 10-coordinate geometry to one F(1), one F(11), one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(7), one F(9), and two equivalent F(8) atoms. Y(1) is bonded in a 7-coordinate geometry to one F(11), one F(3), one F(5), one F(7), one F(9), and two equivalent F(10) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) 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 a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ni site, Ni(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form a mixture of corner and edge-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are eleven inequivalent F sites. In the first F site, F(10) is bonded in a distorted T-shaped geometry to two equivalent Y(1) and one Ni(2) atom. In the second F site, F(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one Y(1), and one Ni(2) atom. In the third F site, F(1) is bonded in a distorted water-like geometry to one Ba(1), one Ba(2), one Ni(1), and one Ni(2) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ni(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), and one Ni(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Ni(1) atom. In the seventh F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), 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 Ni(1), and one Ni(2) atom. In the ninth F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), and one Y(1) atom. In the tenth F site, F(8) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ni(2) atom. In the eleventh F site, F(9) is bonded in a distorted tetrahedral geometry to one Ba(2), one Y(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2YNi2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   7.860
_cell_length_c   13.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   722.417
_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  0.886  0.854  0.664  1.0
  Ba  Ba1  1  0.520  0.196  0.817  1.0
  Ba  Ba2  1  0.968  0.114  0.998  1.0
  Ba  Ba3  1  0.804  0.324  0.484  1.0
  Ba  Ba4  1  0.676  0.480  0.151  1.0
  Ba  Ba5  1  0.146  0.032  0.331  1.0
  Y  Y6  1  0.460  0.668  0.895  1.0
  Y  Y7  1  0.209  0.540  0.228  1.0
  Y  Y8  1  0.332  0.791  0.561  1.0
  Ni  Ni9  1  0.967  0.664  0.883  1.0
  Ni  Ni10  1  0.118  0.403  0.719  1.0
  Ni  Ni11  1  0.597  0.715  0.385  1.0
  Ni  Ni12  1  0.697  0.033  0.216  1.0
  Ni  Ni13  1  0.285  0.882  0.052  1.0
  Ni  Ni14  1  0.336  0.303  0.549  1.0
  F  F15  1  0.999  0.760  0.024  1.0
  F  F16  1  0.847  0.389  0.932  1.0
  F  F17  1  0.761  0.001  0.357  1.0
  F  F18  1  0.417  0.090  0.497  1.0
  F  F19  1  0.899  0.965  0.177  1.0
  F  F20  1  0.290  0.322  0.193  1.0
  F  F21  1  0.910  0.327  0.164  1.0
  F  F22  1  0.678  0.968  0.860  1.0
  F  F23  1  0.066  0.101  0.510  1.0
  F  F24  1  0.576  0.000  0.079  1.0
  F  F25  1  0.673  0.583  0.831  1.0
  F  F26  1  0.240  0.239  0.690  1.0
  F  F27  1  0.635  0.682  0.016  1.0
  F  F28  1  0.348  0.153  0.011  1.0
  F  F29  1  0.047  0.365  0.349  1.0
  F  F30  1  0.611  0.458  0.598  1.0
  F  F31  1  0.285  0.819  0.902  1.0
  F  F32  1  0.424  0.424  0.412  1.0
  F  F33  1  0.339  0.738  0.389  1.0
  F  F34  1  0.318  0.953  0.682  1.0
  F  F35  1  0.400  0.661  0.723  1.0
  F  F36  1  0.847  0.194  0.677  1.0
  F  F37  1  0.806  0.652  0.344  1.0
  F  F38  1  0.533  0.715  0.235  1.0
  F  F39  1  1.000  0.576  0.745  1.0
  F  F40  1  0.035  0.934  0.843  1.0
  F  F41  1  0.542  0.153  0.265  1.0
  F  F42  1  0.199  0.381  0.862  1.0
  F  F43  1  0.182  0.801  0.196  1.0
  F  F44  1  0.262  0.600  0.056  1.0
  F  F45  1  0.032  0.710  0.526  1.0
  F  F46  1  0.181  0.467  0.568  1.0
  F  F47  1  0.619  0.818  0.529  1.0
[/CIF]
.