The compound described by TaBr5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six TaBr5 clusters. Ta(1) is bonded to two equivalent Br(6), two equivalent Br(8), and two equivalent Br(9) atoms to form edge-sharing TaBr6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(9) is bonded in a water-like geometry to two equivalent Ta(1) atoms. In the second Br site, Br(8) is bonded in a single-bond geometry to one Ta(1) atom. In the third Br site, Br(6) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF card [CIF]
data_TaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   13.804
_cell_length_c   13.804
_cell_angle_alpha   87.342
_cell_angle_beta   89.461
_cell_angle_gamma   89.461
_symmetry_Int_Tables_number   1
_cell_volume   1210.145
_cell_formula_units_Z   6
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  0.500  0.390  0.610  1.0
  Ta  Ta1  1  0.500  0.610  0.390  1.0
  Ta  Ta2  1  0.021  0.057  0.276  1.0
  Ta  Ta3  1  0.021  0.276  0.057  1.0
  Ta  Ta4  1  0.979  0.943  0.724  1.0
  Ta  Ta5  1  0.979  0.724  0.943  1.0
  Br  Br6  1  0.802  0.116  0.116  1.0
  Br  Br7  1  0.198  0.884  0.884  1.0
  Br  Br8  1  0.784  0.922  0.302  1.0
  Br  Br9  1  0.784  0.302  0.922  1.0
  Br  Br10  1  0.216  0.078  0.698  1.0
  Br  Br11  1  0.216  0.698  0.078  1.0
  Br  Br12  1  0.252  0.968  0.165  1.0
  Br  Br13  1  0.252  0.165  0.968  1.0
  Br  Br14  1  0.748  0.032  0.835  1.0
  Br  Br15  1  0.748  0.835  0.032  1.0
  Br  Br16  1  0.257  0.032  0.412  1.0
  Br  Br17  1  0.257  0.412  0.032  1.0
  Br  Br18  1  0.743  0.968  0.588  1.0
  Br  Br19  1  0.743  0.588  0.968  1.0
  Br  Br20  1  0.241  0.218  0.218  1.0
  Br  Br21  1  0.759  0.782  0.782  1.0
  Br  Br22  1  0.276  0.302  0.498  1.0
  Br  Br23  1  0.276  0.498  0.302  1.0
  Br  Br24  1  0.724  0.698  0.502  1.0
  Br  Br25  1  0.724  0.502  0.698  1.0
  Br  Br26  1  0.789  0.169  0.365  1.0
  Br  Br27  1  0.789  0.365  0.169  1.0
  Br  Br28  1  0.211  0.831  0.635  1.0
  Br  Br29  1  0.211  0.635  0.831  1.0
  Br  Br30  1  0.260  0.365  0.745  1.0
  Br  Br31  1  0.260  0.745  0.365  1.0
  Br  Br32  1  0.740  0.635  0.255  1.0
  Br  Br33  1  0.740  0.255  0.635  1.0
  Br  Br34  1  0.277  0.551  0.551  1.0
  Br  Br35  1  0.723  0.449  0.449  1.0
[/CIF]
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The compound described by TaBr5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six TaBr5 clusters. Ta(1) is bonded to two equivalent Br(6), two equivalent Br(8), and two equivalent Br(9) atoms to form edge-sharing TaBr6 octahedra. There are three inequivalent Br sites. In the first Br site, Br(9) is bonded in a water-like geometry to two equivalent Ta(1) atoms. In the second Br site, Br(8) is bonded in a single-bond geometry to one Ta(1) atom. In the third Br site, Br(6) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF card [CIF]
data_TaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   13.804
_cell_length_c   13.804
_cell_angle_alpha   87.342
_cell_angle_beta   89.461
_cell_angle_gamma   89.461
_symmetry_Int_Tables_number   1
_cell_volume   1210.145
_cell_formula_units_Z   6
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  0.500  0.390  0.610  1.0
  Ta  Ta1  1  0.500  0.610  0.390  1.0
  Ta  Ta2  1  0.021  0.057  0.276  1.0
  Ta  Ta3  1  0.021  0.276  0.057  1.0
  Ta  Ta4  1  0.979  0.943  0.724  1.0
  Ta  Ta5  1  0.979  0.724  0.943  1.0
  Br  Br6  1  0.802  0.116  0.116  1.0
  Br  Br7  1  0.198  0.884  0.884  1.0
  Br  Br8  1  0.784  0.922  0.302  1.0
  Br  Br9  1  0.784  0.302  0.922  1.0
  Br  Br10  1  0.216  0.078  0.698  1.0
  Br  Br11  1  0.216  0.698  0.078  1.0
  Br  Br12  1  0.252  0.968  0.165  1.0
  Br  Br13  1  0.252  0.165  0.968  1.0
  Br  Br14  1  0.748  0.032  0.835  1.0
  Br  Br15  1  0.748  0.835  0.032  1.0
  Br  Br16  1  0.257  0.032  0.412  1.0
  Br  Br17  1  0.257  0.412  0.032  1.0
  Br  Br18  1  0.743  0.968  0.588  1.0
  Br  Br19  1  0.743  0.588  0.968  1.0
  Br  Br20  1  0.241  0.218  0.218  1.0
  Br  Br21  1  0.759  0.782  0.782  1.0
  Br  Br22  1  0.276  0.302  0.498  1.0
  Br  Br23  1  0.276  0.498  0.302  1.0
  Br  Br24  1  0.724  0.698  0.502  1.0
  Br  Br25  1  0.724  0.502  0.698  1.0
  Br  Br26  1  0.789  0.169  0.365  1.0
  Br  Br27  1  0.789  0.365  0.169  1.0
  Br  Br28  1  0.211  0.831  0.635  1.0
  Br  Br29  1  0.211  0.635  0.831  1.0
  Br  Br30  1  0.260  0.365  0.745  1.0
  Br  Br31  1  0.260  0.745  0.365  1.0
  Br  Br32  1  0.740  0.635  0.255  1.0
  Br  Br33  1  0.740  0.255  0.635  1.0
  Br  Br34  1  0.277  0.551  0.551  1.0
  Br  Br35  1  0.723  0.449  0.449  1.0
[/CIF]
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