The structure described by BClF6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two BClF6 clusters. B(1) is bonded in a tetrahedral geometry to one F(3), one F(4), one F(5), and one F(6) atom. Cl(1) is bonded in a distorted square co-planar geometry to one F(1), one F(2), one F(4), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cl(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one B(1) and one Cl(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one B(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one B(1) and one Cl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.743
_cell_length_b   5.607
_cell_length_c   9.671
_cell_angle_alpha   63.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.015
_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
  B  B0  1  0.499  0.433  0.319  1.0
  B  B1  1  0.999  0.567  0.181  1.0
  B  B2  1  0.501  0.567  0.681  1.0
  B  B3  1  0.001  0.433  0.819  1.0
  Cl  Cl4  1  0.721  0.170  0.614  1.0
  Cl  Cl5  1  0.221  0.830  0.886  1.0
  Cl  Cl6  1  0.279  0.830  0.386  1.0
  Cl  Cl7  1  0.779  0.170  0.114  1.0
  F  F8  1  0.647  0.070  0.038  1.0
  F  F9  1  0.147  0.930  0.462  1.0
  F  F10  1  0.353  0.930  0.962  1.0
  F  F11  1  0.853  0.070  0.538  1.0
  F  F12  1  0.729  0.982  0.287  1.0
  F  F13  1  0.229  0.018  0.213  1.0
  F  F14  1  0.271  0.018  0.713  1.0
  F  F15  1  0.771  0.982  0.787  1.0
  F  F16  1  0.008  0.372  0.697  1.0
  F  F17  1  0.508  0.628  0.803  1.0
  F  F18  1  0.992  0.628  0.303  1.0
  F  F19  1  0.492  0.372  0.197  1.0
  F  F20  1  0.045  0.708  0.769  1.0
  F  F21  1  0.545  0.292  0.731  1.0
  F  F22  1  0.955  0.292  0.231  1.0
  F  F23  1  0.455  0.708  0.269  1.0
  F  F24  1  0.092  0.275  0.942  1.0
  F  F25  1  0.592  0.725  0.558  1.0
  F  F26  1  0.908  0.725  0.058  1.0
  F  F27  1  0.408  0.275  0.442  1.0
  F  F28  1  0.844  0.417  0.869  1.0
  F  F29  1  0.344  0.583  0.631  1.0
  F  F30  1  0.156  0.583  0.131  1.0
  F  F31  1  0.656  0.417  0.369  1.0
[/CIF]
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The structure described by BClF6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two BClF6 clusters. B(1) is bonded in a tetrahedral geometry to one F(3), one F(4), one F(5), and one F(6) atom. Cl(1) is bonded in a distorted square co-planar geometry to one F(1), one F(2), one F(4), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cl(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one B(1) and one Cl(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one B(1) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one B(1) and one Cl(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.743
_cell_length_b   5.607
_cell_length_c   9.671
_cell_angle_alpha   63.974
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.015
_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
  B  B0  1  0.499  0.433  0.319  1.0
  B  B1  1  0.999  0.567  0.181  1.0
  B  B2  1  0.501  0.567  0.681  1.0
  B  B3  1  0.001  0.433  0.819  1.0
  Cl  Cl4  1  0.721  0.170  0.614  1.0
  Cl  Cl5  1  0.221  0.830  0.886  1.0
  Cl  Cl6  1  0.279  0.830  0.386  1.0
  Cl  Cl7  1  0.779  0.170  0.114  1.0
  F  F8  1  0.647  0.070  0.038  1.0
  F  F9  1  0.147  0.930  0.462  1.0
  F  F10  1  0.353  0.930  0.962  1.0
  F  F11  1  0.853  0.070  0.538  1.0
  F  F12  1  0.729  0.982  0.287  1.0
  F  F13  1  0.229  0.018  0.213  1.0
  F  F14  1  0.271  0.018  0.713  1.0
  F  F15  1  0.771  0.982  0.787  1.0
  F  F16  1  0.008  0.372  0.697  1.0
  F  F17  1  0.508  0.628  0.803  1.0
  F  F18  1  0.992  0.628  0.303  1.0
  F  F19  1  0.492  0.372  0.197  1.0
  F  F20  1  0.045  0.708  0.769  1.0
  F  F21  1  0.545  0.292  0.731  1.0
  F  F22  1  0.955  0.292  0.231  1.0
  F  F23  1  0.455  0.708  0.269  1.0
  F  F24  1  0.092  0.275  0.942  1.0
  F  F25  1  0.592  0.725  0.558  1.0
  F  F26  1  0.908  0.725  0.058  1.0
  F  F27  1  0.408  0.275  0.442  1.0
  F  F28  1  0.844  0.417  0.869  1.0
  F  F29  1  0.344  0.583  0.631  1.0
  F  F30  1  0.156  0.583  0.131  1.0
  F  F31  1  0.656  0.417  0.369  1.0
[/CIF]
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