The material structure described by TaBr5 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TaBr5 clusters. Ta(1) is bonded to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom to form edge-sharing TaBr6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Br site, Br(4) is bonded in a water-like geometry to two equivalent Ta(1) atoms. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one Ta(1) atom. In the sixth Br site, Br(6) is bonded in a water-like geometry to two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_TaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.337
_cell_length_b   13.313
_cell_length_c   19.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1611.291
_cell_formula_units_Z   8
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
  Ta  Ta0  1  0.993  0.125  0.141  1.0
  Ta  Ta1  1  0.993  0.125  0.359  1.0
  Ta  Ta2  1  0.507  0.625  0.141  1.0
  Ta  Ta3  1  0.493  0.375  0.859  1.0
  Ta  Ta4  1  0.493  0.375  0.641  1.0
  Ta  Ta5  1  0.507  0.625  0.359  1.0
  Ta  Ta6  1  0.007  0.875  0.641  1.0
  Ta  Ta7  1  0.007  0.875  0.859  1.0
  Br  Br8  1  0.233  0.724  0.848  1.0
  Br  Br9  1  0.232  0.207  0.440  1.0
  Br  Br10  1  0.747  0.542  0.440  1.0
  Br  Br11  1  0.716  0.299  0.750  1.0
  Br  Br12  1  0.779  0.026  0.848  1.0
  Br  Br13  1  0.733  0.776  0.348  1.0
  Br  Br14  1  0.229  0.951  0.750  1.0
  Br  Br15  1  0.216  0.201  0.250  1.0
  Br  Br16  1  0.267  0.224  0.848  1.0
  Br  Br17  1  0.232  0.207  0.060  1.0
  Br  Br18  1  0.221  0.974  0.152  1.0
  Br  Br19  1  0.247  0.958  0.560  1.0
  Br  Br20  1  0.732  0.293  0.940  1.0
  Br  Br21  1  0.253  0.458  0.560  1.0
  Br  Br22  1  0.268  0.707  0.060  1.0
  Br  Br23  1  0.732  0.293  0.560  1.0
  Br  Br24  1  0.721  0.526  0.848  1.0
  Br  Br25  1  0.768  0.793  0.940  1.0
  Br  Br26  1  0.721  0.526  0.652  1.0
  Br  Br27  1  0.747  0.542  0.060  1.0
  Br  Br28  1  0.284  0.701  0.250  1.0
  Br  Br29  1  0.768  0.793  0.560  1.0
  Br  Br30  1  0.753  0.042  0.440  1.0
  Br  Br31  1  0.784  0.799  0.750  1.0
  Br  Br32  1  0.253  0.458  0.940  1.0
  Br  Br33  1  0.733  0.776  0.152  1.0
  Br  Br34  1  0.753  0.042  0.060  1.0
  Br  Br35  1  0.279  0.474  0.152  1.0
  Br  Br36  1  0.767  0.276  0.348  1.0
  Br  Br37  1  0.247  0.958  0.940  1.0
  Br  Br38  1  0.271  0.451  0.750  1.0
  Br  Br39  1  0.729  0.549  0.250  1.0
  Br  Br40  1  0.267  0.224  0.652  1.0
  Br  Br41  1  0.221  0.974  0.348  1.0
  Br  Br42  1  0.779  0.026  0.652  1.0
  Br  Br43  1  0.279  0.474  0.348  1.0
  Br  Br44  1  0.771  0.049  0.250  1.0
  Br  Br45  1  0.767  0.276  0.152  1.0
  Br  Br46  1  0.268  0.707  0.440  1.0
  Br  Br47  1  0.233  0.724  0.652  1.0
[/CIF]
.
The material structure described by TaBr5 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four TaBr5 clusters. Ta(1) is bonded to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(6) atom to form edge-sharing TaBr6 octahedra. There are six inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Br site, Br(4) is bonded in a water-like geometry to two equivalent Ta(1) atoms. In the fifth Br site, Br(5) is bonded in a single-bond geometry to one Ta(1) atom. In the sixth Br site, Br(6) is bonded in a water-like geometry to two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_TaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.337
_cell_length_b   13.313
_cell_length_c   19.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1611.291
_cell_formula_units_Z   8
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
  Ta  Ta0  1  0.993  0.125  0.141  1.0
  Ta  Ta1  1  0.993  0.125  0.359  1.0
  Ta  Ta2  1  0.507  0.625  0.141  1.0
  Ta  Ta3  1  0.493  0.375  0.859  1.0
  Ta  Ta4  1  0.493  0.375  0.641  1.0
  Ta  Ta5  1  0.507  0.625  0.359  1.0
  Ta  Ta6  1  0.007  0.875  0.641  1.0
  Ta  Ta7  1  0.007  0.875  0.859  1.0
  Br  Br8  1  0.233  0.724  0.848  1.0
  Br  Br9  1  0.232  0.207  0.440  1.0
  Br  Br10  1  0.747  0.542  0.440  1.0
  Br  Br11  1  0.716  0.299  0.750  1.0
  Br  Br12  1  0.779  0.026  0.848  1.0
  Br  Br13  1  0.733  0.776  0.348  1.0
  Br  Br14  1  0.229  0.951  0.750  1.0
  Br  Br15  1  0.216  0.201  0.250  1.0
  Br  Br16  1  0.267  0.224  0.848  1.0
  Br  Br17  1  0.232  0.207  0.060  1.0
  Br  Br18  1  0.221  0.974  0.152  1.0
  Br  Br19  1  0.247  0.958  0.560  1.0
  Br  Br20  1  0.732  0.293  0.940  1.0
  Br  Br21  1  0.253  0.458  0.560  1.0
  Br  Br22  1  0.268  0.707  0.060  1.0
  Br  Br23  1  0.732  0.293  0.560  1.0
  Br  Br24  1  0.721  0.526  0.848  1.0
  Br  Br25  1  0.768  0.793  0.940  1.0
  Br  Br26  1  0.721  0.526  0.652  1.0
  Br  Br27  1  0.747  0.542  0.060  1.0
  Br  Br28  1  0.284  0.701  0.250  1.0
  Br  Br29  1  0.768  0.793  0.560  1.0
  Br  Br30  1  0.753  0.042  0.440  1.0
  Br  Br31  1  0.784  0.799  0.750  1.0
  Br  Br32  1  0.253  0.458  0.940  1.0
  Br  Br33  1  0.733  0.776  0.152  1.0
  Br  Br34  1  0.753  0.042  0.060  1.0
  Br  Br35  1  0.279  0.474  0.152  1.0
  Br  Br36  1  0.767  0.276  0.348  1.0
  Br  Br37  1  0.247  0.958  0.940  1.0
  Br  Br38  1  0.271  0.451  0.750  1.0
  Br  Br39  1  0.729  0.549  0.250  1.0
  Br  Br40  1  0.267  0.224  0.652  1.0
  Br  Br41  1  0.221  0.974  0.348  1.0
  Br  Br42  1  0.779  0.026  0.652  1.0
  Br  Br43  1  0.279  0.474  0.348  1.0
  Br  Br44  1  0.771  0.049  0.250  1.0
  Br  Br45  1  0.767  0.276  0.152  1.0
  Br  Br46  1  0.268  0.707  0.440  1.0
  Br  Br47  1  0.233  0.724  0.652  1.0
[/CIF]
.