The structure described by Ti7Br16 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Br(1) and four equivalent Br(5) atoms to form edge-sharing TiBr6 octahedra. In the second Ti site, Ti(2) is bonded to one Br(3), one Br(4), two equivalent Br(5), and two equivalent Br(6) atoms to form distorted edge-sharing TiBr6 octahedra. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom. There are six inequivalent Br sites. In the first Br site, Br(6) is bonded in a distorted L-shaped geometry to one Ti(2) and one Ti(3) atom. In the second Br site, Br(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ti(3) atoms. In the third Br site, Br(2) is bonded in a 2-coordinate geometry to two equivalent Ti(3) atoms. In the fourth Br site, Br(3) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. In the fifth Br site, Br(4) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(3) atoms. In the sixth Br site, Br(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. is represented by the CIF file [CIF]
data_Ti7Br16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.203
_cell_length_b   10.702
_cell_length_c   15.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1190.663
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.500  0.535  0.761  1.0
  Ti  Ti3  1  0.500  0.465  0.239  1.0
  Ti  Ti4  1  0.000  0.035  0.739  1.0
  Ti  Ti5  1  0.000  0.965  0.261  1.0
  Ti  Ti6  1  0.695  0.746  0.861  1.0
  Ti  Ti7  1  0.695  0.254  0.139  1.0
  Ti  Ti8  1  0.805  0.246  0.639  1.0
  Ti  Ti9  1  0.805  0.754  0.361  1.0
  Ti  Ti10  1  0.305  0.254  0.139  1.0
  Ti  Ti11  1  0.305  0.746  0.861  1.0
  Ti  Ti12  1  0.195  0.754  0.361  1.0
  Ti  Ti13  1  0.195  0.246  0.639  1.0
  Br  Br14  1  0.000  0.755  0.980  1.0
  Br  Br15  1  0.000  0.245  0.020  1.0
  Br  Br16  1  0.500  0.255  0.520  1.0
  Br  Br17  1  0.500  0.745  0.480  1.0
  Br  Br18  1  0.500  0.759  0.994  1.0
  Br  Br19  1  0.500  0.241  0.006  1.0
  Br  Br20  1  0.000  0.259  0.506  1.0
  Br  Br21  1  0.000  0.741  0.494  1.0
  Br  Br22  1  0.000  0.772  0.751  1.0
  Br  Br23  1  0.000  0.228  0.249  1.0
  Br  Br24  1  0.500  0.272  0.749  1.0
  Br  Br25  1  0.500  0.728  0.251  1.0
  Br  Br26  1  0.500  0.768  0.725  1.0
  Br  Br27  1  0.500  0.232  0.275  1.0
  Br  Br28  1  0.000  0.268  0.775  1.0
  Br  Br29  1  0.000  0.732  0.225  1.0
  Br  Br30  1  0.748  0.001  0.868  1.0
  Br  Br31  1  0.748  0.999  0.132  1.0
  Br  Br32  1  0.752  0.501  0.632  1.0
  Br  Br33  1  0.752  0.499  0.368  1.0
  Br  Br34  1  0.252  0.999  0.132  1.0
  Br  Br35  1  0.252  0.001  0.868  1.0
  Br  Br36  1  0.248  0.499  0.368  1.0
  Br  Br37  1  0.248  0.501  0.632  1.0
  Br  Br38  1  0.751  0.515  0.874  1.0
  Br  Br39  1  0.751  0.485  0.126  1.0
  Br  Br40  1  0.749  0.015  0.626  1.0
  Br  Br41  1  0.749  0.985  0.374  1.0
  Br  Br42  1  0.249  0.485  0.126  1.0
  Br  Br43  1  0.249  0.515  0.874  1.0
  Br  Br44  1  0.251  0.985  0.374  1.0
  Br  Br45  1  0.251  0.015  0.626  1.0
[/CIF]
.
The structure described by Ti7Br16 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Br(1) and four equivalent Br(5) atoms to form edge-sharing TiBr6 octahedra. In the second Ti site, Ti(2) is bonded to one Br(3), one Br(4), two equivalent Br(5), and two equivalent Br(6) atoms to form distorted edge-sharing TiBr6 octahedra. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom. There are six inequivalent Br sites. In the first Br site, Br(6) is bonded in a distorted L-shaped geometry to one Ti(2) and one Ti(3) atom. In the second Br site, Br(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ti(3) atoms. In the third Br site, Br(2) is bonded in a 2-coordinate geometry to two equivalent Ti(3) atoms. In the fourth Br site, Br(3) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. In the fifth Br site, Br(4) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(3) atoms. In the sixth Br site, Br(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. is represented by the CIF file [CIF]
data_Ti7Br16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.203
_cell_length_b   10.702
_cell_length_c   15.446
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1190.663
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.500  0.535  0.761  1.0
  Ti  Ti3  1  0.500  0.465  0.239  1.0
  Ti  Ti4  1  0.000  0.035  0.739  1.0
  Ti  Ti5  1  0.000  0.965  0.261  1.0
  Ti  Ti6  1  0.695  0.746  0.861  1.0
  Ti  Ti7  1  0.695  0.254  0.139  1.0
  Ti  Ti8  1  0.805  0.246  0.639  1.0
  Ti  Ti9  1  0.805  0.754  0.361  1.0
  Ti  Ti10  1  0.305  0.254  0.139  1.0
  Ti  Ti11  1  0.305  0.746  0.861  1.0
  Ti  Ti12  1  0.195  0.754  0.361  1.0
  Ti  Ti13  1  0.195  0.246  0.639  1.0
  Br  Br14  1  0.000  0.755  0.980  1.0
  Br  Br15  1  0.000  0.245  0.020  1.0
  Br  Br16  1  0.500  0.255  0.520  1.0
  Br  Br17  1  0.500  0.745  0.480  1.0
  Br  Br18  1  0.500  0.759  0.994  1.0
  Br  Br19  1  0.500  0.241  0.006  1.0
  Br  Br20  1  0.000  0.259  0.506  1.0
  Br  Br21  1  0.000  0.741  0.494  1.0
  Br  Br22  1  0.000  0.772  0.751  1.0
  Br  Br23  1  0.000  0.228  0.249  1.0
  Br  Br24  1  0.500  0.272  0.749  1.0
  Br  Br25  1  0.500  0.728  0.251  1.0
  Br  Br26  1  0.500  0.768  0.725  1.0
  Br  Br27  1  0.500  0.232  0.275  1.0
  Br  Br28  1  0.000  0.268  0.775  1.0
  Br  Br29  1  0.000  0.732  0.225  1.0
  Br  Br30  1  0.748  0.001  0.868  1.0
  Br  Br31  1  0.748  0.999  0.132  1.0
  Br  Br32  1  0.752  0.501  0.632  1.0
  Br  Br33  1  0.752  0.499  0.368  1.0
  Br  Br34  1  0.252  0.999  0.132  1.0
  Br  Br35  1  0.252  0.001  0.868  1.0
  Br  Br36  1  0.248  0.499  0.368  1.0
  Br  Br37  1  0.248  0.501  0.632  1.0
  Br  Br38  1  0.751  0.515  0.874  1.0
  Br  Br39  1  0.751  0.485  0.126  1.0
  Br  Br40  1  0.749  0.015  0.626  1.0
  Br  Br41  1  0.749  0.985  0.374  1.0
  Br  Br42  1  0.249  0.485  0.126  1.0
  Br  Br43  1  0.249  0.515  0.874  1.0
  Br  Br44  1  0.251  0.985  0.374  1.0
  Br  Br45  1  0.251  0.015  0.626  1.0
[/CIF]
.