The compound described by TiBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four titanium(iv) bromide molecules. Ti(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ti(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Ti(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.006
_cell_length_b   10.444
_cell_length_c   10.471
_cell_angle_alpha   101.770
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   750.134
_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
  Ti  Ti0  1  0.426  0.751  0.633  1.0
  Ti  Ti1  1  0.926  0.249  0.867  1.0
  Ti  Ti2  1  0.574  0.249  0.367  1.0
  Ti  Ti3  1  0.074  0.751  0.133  1.0
  Br  Br4  1  0.426  0.930  0.806  1.0
  Br  Br5  1  0.926  0.070  0.694  1.0
  Br  Br6  1  0.574  0.070  0.194  1.0
  Br  Br7  1  0.074  0.930  0.306  1.0
  Br  Br8  1  0.112  0.690  0.576  1.0
  Br  Br9  1  0.612  0.310  0.924  1.0
  Br  Br10  1  0.888  0.310  0.424  1.0
  Br  Br11  1  0.388  0.690  0.076  1.0
  Br  Br12  1  0.586  0.578  0.696  1.0
  Br  Br13  1  0.086  0.422  0.804  1.0
  Br  Br14  1  0.414  0.422  0.304  1.0
  Br  Br15  1  0.914  0.578  0.196  1.0
  Br  Br16  1  0.582  0.808  0.457  1.0
  Br  Br17  1  0.082  0.192  0.043  1.0
  Br  Br18  1  0.418  0.192  0.543  1.0
  Br  Br19  1  0.918  0.808  0.957  1.0
[/CIF]
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The compound described by TiBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four titanium(iv) bromide molecules. Ti(1) is bonded in a tetrahedral geometry to one Br(1), one Br(2), one Br(3), and one Br(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ti(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Ti(1) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.006
_cell_length_b   10.444
_cell_length_c   10.471
_cell_angle_alpha   101.770
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   750.134
_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
  Ti  Ti0  1  0.426  0.751  0.633  1.0
  Ti  Ti1  1  0.926  0.249  0.867  1.0
  Ti  Ti2  1  0.574  0.249  0.367  1.0
  Ti  Ti3  1  0.074  0.751  0.133  1.0
  Br  Br4  1  0.426  0.930  0.806  1.0
  Br  Br5  1  0.926  0.070  0.694  1.0
  Br  Br6  1  0.574  0.070  0.194  1.0
  Br  Br7  1  0.074  0.930  0.306  1.0
  Br  Br8  1  0.112  0.690  0.576  1.0
  Br  Br9  1  0.612  0.310  0.924  1.0
  Br  Br10  1  0.888  0.310  0.424  1.0
  Br  Br11  1  0.388  0.690  0.076  1.0
  Br  Br12  1  0.586  0.578  0.696  1.0
  Br  Br13  1  0.086  0.422  0.804  1.0
  Br  Br14  1  0.414  0.422  0.304  1.0
  Br  Br15  1  0.914  0.578  0.196  1.0
  Br  Br16  1  0.582  0.808  0.457  1.0
  Br  Br17  1  0.082  0.192  0.043  1.0
  Br  Br18  1  0.418  0.192  0.543  1.0
  Br  Br19  1  0.918  0.808  0.957  1.0
[/CIF]
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