The compound described by Ba2Mo2F11 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 7-coordinate geometry to one F(11), one F(2), one F(5), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(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 distorted edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Mo site, Mo(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 edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(2) atom. In the second F site, F(1) is bonded in a distorted water-like geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Mo(1) atom. In the fourth F site, F(3) is bonded in a bent 120 degrees geometry to one Ba(2) and one Mo(1) atom. In the fifth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Mo(1) atom. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth F site, F(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the ninth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mo(2) atom. In the tenth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one Ba(2) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Ba2Mo2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.033
_cell_length_b   8.033
_cell_length_c   14.646
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   818.571
_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  0.935  0.860  0.650  1.0
  Ba  Ba1  1  0.487  0.076  0.808  1.0
  Ba  Ba2  1  0.925  0.065  0.983  1.0
  Ba  Ba3  1  0.924  0.411  0.474  1.0
  Ba  Ba4  1  0.589  0.513  0.141  1.0
  Ba  Ba5  1  0.140  0.075  0.317  1.0
  Mo  Mo6  1  0.936  0.600  0.889  1.0
  Mo  Mo7  1  0.189  0.440  0.729  1.0
  Mo  Mo8  1  0.560  0.749  0.396  1.0
  Mo  Mo9  1  0.664  0.064  0.222  1.0
  Mo  Mo10  1  0.251  0.811  0.063  1.0
  Mo  Mo11  1  0.400  0.336  0.555  1.0
  F  F12  1  0.960  0.681  0.034  1.0
  F  F13  1  0.829  0.329  0.944  1.0
  F  F14  1  0.721  0.040  0.367  1.0
  F  F15  1  0.530  0.197  0.501  1.0
  F  F16  1  0.847  0.966  0.178  1.0
  F  F17  1  0.256  0.251  0.164  1.0
  F  F18  1  0.803  0.334  0.168  1.0
  F  F19  1  0.749  0.005  0.830  1.0
  F  F20  1  0.119  0.153  0.511  1.0
  F  F21  1  0.546  0.982  0.087  1.0
  F  F22  1  0.666  0.470  0.835  1.0
  F  F23  1  0.319  0.279  0.700  1.0
  F  F24  1  0.661  0.721  0.005  1.0
  F  F25  1  0.280  0.049  0.007  1.0
  F  F26  1  0.061  0.339  0.338  1.0
  F  F27  1  0.671  0.500  0.611  1.0
  F  F28  1  0.249  0.747  0.925  1.0
  F  F29  1  0.437  0.454  0.420  1.0
  F  F30  1  0.322  0.748  0.412  1.0
  F  F31  1  0.279  0.939  0.671  1.0
  F  F32  1  0.425  0.678  0.745  1.0
  F  F33  1  0.951  0.231  0.674  1.0
  F  F34  1  0.769  0.720  0.340  1.0
  F  F35  1  0.498  0.751  0.258  1.0
  F  F36  1  0.018  0.563  0.754  1.0
  F  F37  1  0.034  0.881  0.845  1.0
  F  F38  1  0.500  0.171  0.278  1.0
  F  F39  1  0.155  0.356  0.855  1.0
  F  F40  1  0.201  0.845  0.188  1.0
  F  F41  1  0.252  0.575  0.079  1.0
  F  F42  1  0.995  0.744  0.497  1.0
  F  F43  1  0.253  0.502  0.591  1.0
  F  F44  1  0.644  0.799  0.521  1.0
[/CIF]
.
The compound described by Ba2Mo2F11 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 7-coordinate geometry to one F(11), one F(2), one F(5), one F(7), one F(8), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(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 distorted edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second Mo site, Mo(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 edge and corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(2) atom. In the second F site, F(1) is bonded in a distorted water-like geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the third F site, F(2) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), and one Mo(1) atom. In the fourth F site, F(3) is bonded in a bent 120 degrees geometry to one Ba(2) and one Mo(1) atom. In the fifth F site, F(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Mo(1) atom. In the sixth F site, F(5) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the seventh F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth F site, F(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one Ba(2) atom. In the ninth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mo(2) atom. In the tenth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(1), and one Mo(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one Ba(2) and one Mo(2) atom. is represented by the CIF card [CIF]
data_Ba2Mo2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.033
_cell_length_b   8.033
_cell_length_c   14.646
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   818.571
_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  0.935  0.860  0.650  1.0
  Ba  Ba1  1  0.487  0.076  0.808  1.0
  Ba  Ba2  1  0.925  0.065  0.983  1.0
  Ba  Ba3  1  0.924  0.411  0.474  1.0
  Ba  Ba4  1  0.589  0.513  0.141  1.0
  Ba  Ba5  1  0.140  0.075  0.317  1.0
  Mo  Mo6  1  0.936  0.600  0.889  1.0
  Mo  Mo7  1  0.189  0.440  0.729  1.0
  Mo  Mo8  1  0.560  0.749  0.396  1.0
  Mo  Mo9  1  0.664  0.064  0.222  1.0
  Mo  Mo10  1  0.251  0.811  0.063  1.0
  Mo  Mo11  1  0.400  0.336  0.555  1.0
  F  F12  1  0.960  0.681  0.034  1.0
  F  F13  1  0.829  0.329  0.944  1.0
  F  F14  1  0.721  0.040  0.367  1.0
  F  F15  1  0.530  0.197  0.501  1.0
  F  F16  1  0.847  0.966  0.178  1.0
  F  F17  1  0.256  0.251  0.164  1.0
  F  F18  1  0.803  0.334  0.168  1.0
  F  F19  1  0.749  0.005  0.830  1.0
  F  F20  1  0.119  0.153  0.511  1.0
  F  F21  1  0.546  0.982  0.087  1.0
  F  F22  1  0.666  0.470  0.835  1.0
  F  F23  1  0.319  0.279  0.700  1.0
  F  F24  1  0.661  0.721  0.005  1.0
  F  F25  1  0.280  0.049  0.007  1.0
  F  F26  1  0.061  0.339  0.338  1.0
  F  F27  1  0.671  0.500  0.611  1.0
  F  F28  1  0.249  0.747  0.925  1.0
  F  F29  1  0.437  0.454  0.420  1.0
  F  F30  1  0.322  0.748  0.412  1.0
  F  F31  1  0.279  0.939  0.671  1.0
  F  F32  1  0.425  0.678  0.745  1.0
  F  F33  1  0.951  0.231  0.674  1.0
  F  F34  1  0.769  0.720  0.340  1.0
  F  F35  1  0.498  0.751  0.258  1.0
  F  F36  1  0.018  0.563  0.754  1.0
  F  F37  1  0.034  0.881  0.845  1.0
  F  F38  1  0.500  0.171  0.278  1.0
  F  F39  1  0.155  0.356  0.855  1.0
  F  F40  1  0.201  0.845  0.188  1.0
  F  F41  1  0.252  0.575  0.079  1.0
  F  F42  1  0.995  0.744  0.497  1.0
  F  F43  1  0.253  0.502  0.591  1.0
  F  F44  1  0.644  0.799  0.521  1.0
[/CIF]
.