The material structure described by BaFMoF6 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four molybdenum hexafluoride molecules and two BaF clusters. In each BaF cluster, Ba(1) is bonded in a 2-coordinate geometry to two equivalent F(7) atoms. F(7) is bonded in a water-like geometry to two equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMoF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.918
_cell_length_b   5.381
_cell_length_c   10.200
_cell_angle_alpha   88.380
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   544.131
_cell_formula_units_Z   4
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  0.327  0.300  0.508  1.0
  Ba  Ba1  1  0.827  0.700  0.992  1.0
  Ba  Ba2  1  0.673  0.700  0.492  1.0
  Ba  Ba3  1  0.173  0.300  0.008  1.0
  Mo  Mo4  1  0.605  0.171  0.184  1.0
  Mo  Mo5  1  0.395  0.829  0.816  1.0
  Mo  Mo6  1  0.895  0.171  0.684  1.0
  Mo  Mo7  1  0.105  0.829  0.316  1.0
  F  F8  1  0.464  0.123  0.878  1.0
  F  F9  1  0.057  0.321  0.627  1.0
  F  F10  1  0.693  0.459  0.239  1.0
  F  F11  1  0.307  0.541  0.761  1.0
  F  F12  1  0.454  0.880  0.638  1.0
  F  F13  1  0.806  0.232  0.519  1.0
  F  F14  1  0.758  0.975  0.235  1.0
  F  F15  1  0.954  0.120  0.862  1.0
  F  F16  1  0.443  0.321  0.127  1.0
  F  F17  1  0.193  0.541  0.261  1.0
  F  F18  1  0.036  0.123  0.378  1.0
  F  F19  1  0.536  0.877  0.122  1.0
  F  F20  1  0.258  0.025  0.265  1.0
  F  F21  1  0.956  0.379  0.118  1.0
  F  F22  1  0.546  0.120  0.362  1.0
  F  F23  1  0.046  0.880  0.138  1.0
  F  F24  1  0.242  0.025  0.765  1.0
  F  F25  1  0.964  0.877  0.622  1.0
  F  F26  1  0.456  0.621  0.382  1.0
  F  F27  1  0.943  0.679  0.373  1.0
  F  F28  1  0.044  0.621  0.882  1.0
  F  F29  1  0.742  0.975  0.735  1.0
  F  F30  1  0.544  0.379  0.618  1.0
  F  F31  1  0.306  0.768  0.981  1.0
  F  F32  1  0.194  0.768  0.481  1.0
  F  F33  1  0.694  0.232  0.019  1.0
  F  F34  1  0.557  0.679  0.873  1.0
  F  F35  1  0.807  0.459  0.739  1.0
[/CIF]
.
The material structure described by BaFMoF6 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four molybdenum hexafluoride molecules and two BaF clusters. In each BaF cluster, Ba(1) is bonded in a 2-coordinate geometry to two equivalent F(7) atoms. F(7) is bonded in a water-like geometry to two equivalent Ba(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMoF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.918
_cell_length_b   5.381
_cell_length_c   10.200
_cell_angle_alpha   88.380
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   544.131
_cell_formula_units_Z   4
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  0.327  0.300  0.508  1.0
  Ba  Ba1  1  0.827  0.700  0.992  1.0
  Ba  Ba2  1  0.673  0.700  0.492  1.0
  Ba  Ba3  1  0.173  0.300  0.008  1.0
  Mo  Mo4  1  0.605  0.171  0.184  1.0
  Mo  Mo5  1  0.395  0.829  0.816  1.0
  Mo  Mo6  1  0.895  0.171  0.684  1.0
  Mo  Mo7  1  0.105  0.829  0.316  1.0
  F  F8  1  0.464  0.123  0.878  1.0
  F  F9  1  0.057  0.321  0.627  1.0
  F  F10  1  0.693  0.459  0.239  1.0
  F  F11  1  0.307  0.541  0.761  1.0
  F  F12  1  0.454  0.880  0.638  1.0
  F  F13  1  0.806  0.232  0.519  1.0
  F  F14  1  0.758  0.975  0.235  1.0
  F  F15  1  0.954  0.120  0.862  1.0
  F  F16  1  0.443  0.321  0.127  1.0
  F  F17  1  0.193  0.541  0.261  1.0
  F  F18  1  0.036  0.123  0.378  1.0
  F  F19  1  0.536  0.877  0.122  1.0
  F  F20  1  0.258  0.025  0.265  1.0
  F  F21  1  0.956  0.379  0.118  1.0
  F  F22  1  0.546  0.120  0.362  1.0
  F  F23  1  0.046  0.880  0.138  1.0
  F  F24  1  0.242  0.025  0.765  1.0
  F  F25  1  0.964  0.877  0.622  1.0
  F  F26  1  0.456  0.621  0.382  1.0
  F  F27  1  0.943  0.679  0.373  1.0
  F  F28  1  0.044  0.621  0.882  1.0
  F  F29  1  0.742  0.975  0.735  1.0
  F  F30  1  0.544  0.379  0.618  1.0
  F  F31  1  0.306  0.768  0.981  1.0
  F  F32  1  0.194  0.768  0.481  1.0
  F  F33  1  0.694  0.232  0.019  1.0
  F  F34  1  0.557  0.679  0.873  1.0
  F  F35  1  0.807  0.459  0.739  1.0
[/CIF]
.