The compound described by InBF4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 7440-74-6 atoms and four BF4 clusters. In each BF4 cluster, B(1) is bonded in a tetrahedral geometry to one F(2), one F(3), and two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_InBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   7.264
_cell_length_c   9.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.102
_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
  In  In0  1  0.250  0.333  0.686  1.0
  In  In1  1  0.750  0.667  0.314  1.0
  In  In2  1  0.750  0.833  0.814  1.0
  In  In3  1  0.250  0.167  0.186  1.0
  B  B4  1  0.250  0.688  0.064  1.0
  B  B5  1  0.250  0.812  0.564  1.0
  B  B6  1  0.750  0.188  0.436  1.0
  B  B7  1  0.750  0.312  0.936  1.0
  F  F8  1  0.543  0.301  0.422  1.0
  F  F9  1  0.957  0.199  0.922  1.0
  F  F10  1  0.457  0.801  0.078  1.0
  F  F11  1  0.043  0.699  0.578  1.0
  F  F12  1  0.250  0.557  0.179  1.0
  F  F13  1  0.750  0.443  0.821  1.0
  F  F14  1  0.750  0.057  0.321  1.0
  F  F15  1  0.250  0.943  0.679  1.0
  F  F16  1  0.250  0.603  0.925  1.0
  F  F17  1  0.750  0.397  0.075  1.0
  F  F18  1  0.750  0.103  0.575  1.0
  F  F19  1  0.250  0.897  0.425  1.0
  F  F20  1  0.043  0.801  0.078  1.0
  F  F21  1  0.543  0.199  0.922  1.0
  F  F22  1  0.957  0.301  0.422  1.0
  F  F23  1  0.457  0.699  0.578  1.0
[/CIF]
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The compound described by InBF4 is Iron carbide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 7440-74-6 atoms and four BF4 clusters. In each BF4 cluster, B(1) is bonded in a tetrahedral geometry to one F(2), one F(3), and two equivalent F(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one B(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one B(1) atom. In the third F site, F(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_InBF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   7.264
_cell_length_c   9.027
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.102
_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
  In  In0  1  0.250  0.333  0.686  1.0
  In  In1  1  0.750  0.667  0.314  1.0
  In  In2  1  0.750  0.833  0.814  1.0
  In  In3  1  0.250  0.167  0.186  1.0
  B  B4  1  0.250  0.688  0.064  1.0
  B  B5  1  0.250  0.812  0.564  1.0
  B  B6  1  0.750  0.188  0.436  1.0
  B  B7  1  0.750  0.312  0.936  1.0
  F  F8  1  0.543  0.301  0.422  1.0
  F  F9  1  0.957  0.199  0.922  1.0
  F  F10  1  0.457  0.801  0.078  1.0
  F  F11  1  0.043  0.699  0.578  1.0
  F  F12  1  0.250  0.557  0.179  1.0
  F  F13  1  0.750  0.443  0.821  1.0
  F  F14  1  0.750  0.057  0.321  1.0
  F  F15  1  0.250  0.943  0.679  1.0
  F  F16  1  0.250  0.603  0.925  1.0
  F  F17  1  0.750  0.397  0.075  1.0
  F  F18  1  0.750  0.103  0.575  1.0
  F  F19  1  0.250  0.897  0.425  1.0
  F  F20  1  0.043  0.801  0.078  1.0
  F  F21  1  0.543  0.199  0.922  1.0
  F  F22  1  0.957  0.301  0.422  1.0
  F  F23  1  0.457  0.699  0.578  1.0
[/CIF]
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