The material described by Ba2Sb2F11 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 9-coordinate geometry to one F(10), one F(11), 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 10-coordinate geometry to one F(1), one F(10), one F(3), one F(4), one F(5), one F(6), one F(7), one F(9), and two equivalent F(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(7) atom. In the second Sb site, Sb(2) is bonded in an octahedral geometry to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a bent 150 degrees geometry to one Ba(1) and one Sb(2) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Ba(2), one Sb(1), and one Sb(2) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Sb(1) atom. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Sb(1) atom. In the fifth F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Sb(1) atom. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Sb(2) atom. In the eighth F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Sb(1) atom. In the ninth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Sb(2) atom. In the tenth F site, F(9) is bonded in a bent 120 degrees geometry to one Ba(2) and one Sb(2) atom. In the eleventh F site, F(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Sb(2) atom. is represented by the CIF file [CIF]
data_Ba2Sb2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   8.064
_cell_length_c   14.824
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   834.720
_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  0.545  0.173  0.657  1.0
  Ba  Ba1  1  0.122  0.397  0.804  1.0
  Ba  Ba2  1  0.629  0.455  0.990  1.0
  Ba  Ba3  1  0.603  0.725  0.471  1.0
  Ba  Ba4  1  0.275  0.878  0.138  1.0
  Ba  Ba5  1  0.827  0.371  0.323  1.0
  Sb  Sb6  1  0.534  0.939  0.895  1.0
  Sb  Sb7  1  0.847  0.799  0.733  1.0
  Sb  Sb8  1  0.201  0.048  0.399  1.0
  Sb  Sb9  1  0.405  0.466  0.228  1.0
  Sb  Sb10  1  0.952  0.153  0.066  1.0
  Sb  Sb11  1  0.061  0.595  0.562  1.0
  F  F12  1  0.657  0.016  0.063  1.0
  F  F13  1  0.298  0.690  0.944  1.0
  F  F14  1  0.360  0.343  0.396  1.0
  F  F15  1  0.120  0.488  0.453  1.0
  F  F16  1  0.554  0.322  0.179  1.0
  F  F17  1  0.004  0.584  0.194  1.0
  F  F18  1  0.512  0.632  0.119  1.0
  F  F19  1  0.416  0.420  0.861  1.0
  F  F20  1  0.769  0.446  0.512  1.0
  F  F21  1  0.247  0.255  0.073  1.0
  F  F22  1  0.368  0.880  0.786  1.0
  F  F23  1  0.984  0.640  0.729  1.0
  F  F24  1  0.398  0.053  0.964  1.0
  F  F25  1  0.932  0.389  0.019  1.0
  F  F26  1  0.654  0.602  0.298  1.0
  F  F27  1  0.310  0.608  0.610  1.0
  F  F28  1  0.965  0.123  0.930  1.0
  F  F29  1  0.007  0.753  0.407  1.0
  F  F30  1  0.960  0.067  0.409  1.0
  F  F31  1  0.947  0.346  0.631  1.0
  F  F32  1  0.108  0.040  0.743  1.0
  F  F33  1  0.611  0.543  0.686  1.0
  F  F34  1  0.457  0.068  0.352  1.0
  F  F35  1  0.158  0.035  0.263  1.0
  F  F36  1  0.745  0.993  0.740  1.0
  F  F37  1  0.678  0.231  0.846  1.0
  F  F38  1  0.392  0.702  0.277  1.0
  F  F39  1  0.816  0.739  0.869  1.0
  F  F40  1  0.922  0.184  0.203  1.0
  F  F41  1  0.933  0.892  0.076  1.0
  F  F42  1  0.580  0.996  0.527  1.0
  F  F43  1  0.877  0.842  0.597  1.0
  F  F44  1  0.261  0.078  0.536  1.0
[/CIF]
.
The material described by Ba2Sb2F11 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 9-coordinate geometry to one F(10), one F(11), 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 10-coordinate geometry to one F(1), one F(10), one F(3), one F(4), one F(5), one F(6), one F(7), one F(9), and two equivalent F(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(7) atom. In the second Sb site, Sb(2) is bonded in an octahedral geometry to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a bent 150 degrees geometry to one Ba(1) and one Sb(2) atom. In the second F site, F(1) is bonded in a distorted single-bond geometry to one Ba(2), one Sb(1), and one Sb(2) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Ba(2) and one Sb(1) atom. In the fourth F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Sb(1) atom. In the fifth F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Sb(1) atom. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Sb(2) atom. In the eighth F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Sb(1) atom. In the ninth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Sb(2) atom. In the tenth F site, F(9) is bonded in a bent 120 degrees geometry to one Ba(2) and one Sb(2) atom. In the eleventh F site, F(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Sb(2) atom. is represented by the CIF file [CIF]
data_Ba2Sb2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.064
_cell_length_b   8.064
_cell_length_c   14.824
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   834.720
_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  0.545  0.173  0.657  1.0
  Ba  Ba1  1  0.122  0.397  0.804  1.0
  Ba  Ba2  1  0.629  0.455  0.990  1.0
  Ba  Ba3  1  0.603  0.725  0.471  1.0
  Ba  Ba4  1  0.275  0.878  0.138  1.0
  Ba  Ba5  1  0.827  0.371  0.323  1.0
  Sb  Sb6  1  0.534  0.939  0.895  1.0
  Sb  Sb7  1  0.847  0.799  0.733  1.0
  Sb  Sb8  1  0.201  0.048  0.399  1.0
  Sb  Sb9  1  0.405  0.466  0.228  1.0
  Sb  Sb10  1  0.952  0.153  0.066  1.0
  Sb  Sb11  1  0.061  0.595  0.562  1.0
  F  F12  1  0.657  0.016  0.063  1.0
  F  F13  1  0.298  0.690  0.944  1.0
  F  F14  1  0.360  0.343  0.396  1.0
  F  F15  1  0.120  0.488  0.453  1.0
  F  F16  1  0.554  0.322  0.179  1.0
  F  F17  1  0.004  0.584  0.194  1.0
  F  F18  1  0.512  0.632  0.119  1.0
  F  F19  1  0.416  0.420  0.861  1.0
  F  F20  1  0.769  0.446  0.512  1.0
  F  F21  1  0.247  0.255  0.073  1.0
  F  F22  1  0.368  0.880  0.786  1.0
  F  F23  1  0.984  0.640  0.729  1.0
  F  F24  1  0.398  0.053  0.964  1.0
  F  F25  1  0.932  0.389  0.019  1.0
  F  F26  1  0.654  0.602  0.298  1.0
  F  F27  1  0.310  0.608  0.610  1.0
  F  F28  1  0.965  0.123  0.930  1.0
  F  F29  1  0.007  0.753  0.407  1.0
  F  F30  1  0.960  0.067  0.409  1.0
  F  F31  1  0.947  0.346  0.631  1.0
  F  F32  1  0.108  0.040  0.743  1.0
  F  F33  1  0.611  0.543  0.686  1.0
  F  F34  1  0.457  0.068  0.352  1.0
  F  F35  1  0.158  0.035  0.263  1.0
  F  F36  1  0.745  0.993  0.740  1.0
  F  F37  1  0.678  0.231  0.846  1.0
  F  F38  1  0.392  0.702  0.277  1.0
  F  F39  1  0.816  0.739  0.869  1.0
  F  F40  1  0.922  0.184  0.203  1.0
  F  F41  1  0.933  0.892  0.076  1.0
  F  F42  1  0.580  0.996  0.527  1.0
  F  F43  1  0.877  0.842  0.597  1.0
  F  F44  1  0.261  0.078  0.536  1.0
[/CIF]
.