The material structure described by Tb5Br8 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 5-coordinate geometry to one Br(3), two equivalent Br(2), and two equivalent Br(4) atoms. In the second Tb site, Tb(2) is bonded in a rectangular see-saw-like geometry to one Br(2), one Br(4), and two equivalent Br(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent Br(1) and four equivalent Br(3) atoms to form edge-sharing TbBr6 octahedra. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Tb(3) and two equivalent Tb(2) atoms. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Tb(2) and two equivalent Tb(1) atoms. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Tb(3) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Tb(2) and two equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.365
_cell_length_b   10.365
_cell_length_c   14.122
_cell_angle_alpha   49.288
_cell_angle_beta   49.288
_cell_angle_gamma   21.927
_symmetry_Int_Tables_number   1
_cell_volume   423.469
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.859  0.859  0.652  1.0
  Tb  Tb1  1  0.141  0.141  0.348  1.0
  Tb  Tb2  1  0.515  0.515  0.623  1.0
  Tb  Tb3  1  0.485  0.485  0.377  1.0
  Tb  Tb4  1  0.000  0.000  0.000  1.0
  Br  Br5  1  0.968  0.968  0.230  1.0
  Br  Br6  1  0.032  0.032  0.770  1.0
  Br  Br7  1  0.297  0.297  0.574  1.0
  Br  Br8  1  0.703  0.703  0.426  1.0
  Br  Br9  1  0.633  0.633  0.898  1.0
  Br  Br10  1  0.673  0.673  0.168  1.0
  Br  Br11  1  0.327  0.327  0.832  1.0
  Br  Br12  1  0.367  0.367  0.102  1.0
[/CIF]
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The material structure described by Tb5Br8 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 5-coordinate geometry to one Br(3), two equivalent Br(2), and two equivalent Br(4) atoms. In the second Tb site, Tb(2) is bonded in a rectangular see-saw-like geometry to one Br(2), one Br(4), and two equivalent Br(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent Br(1) and four equivalent Br(3) atoms to form edge-sharing TbBr6 octahedra. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Tb(3) and two equivalent Tb(2) atoms. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Tb(2) and two equivalent Tb(1) atoms. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Tb(3) atoms. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Tb(2) and two equivalent Tb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Br8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.365
_cell_length_b   10.365
_cell_length_c   14.122
_cell_angle_alpha   49.288
_cell_angle_beta   49.288
_cell_angle_gamma   21.927
_symmetry_Int_Tables_number   1
_cell_volume   423.469
_cell_formula_units_Z   1
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
  Tb  Tb0  1  0.859  0.859  0.652  1.0
  Tb  Tb1  1  0.141  0.141  0.348  1.0
  Tb  Tb2  1  0.515  0.515  0.623  1.0
  Tb  Tb3  1  0.485  0.485  0.377  1.0
  Tb  Tb4  1  0.000  0.000  0.000  1.0
  Br  Br5  1  0.968  0.968  0.230  1.0
  Br  Br6  1  0.032  0.032  0.770  1.0
  Br  Br7  1  0.297  0.297  0.574  1.0
  Br  Br8  1  0.703  0.703  0.426  1.0
  Br  Br9  1  0.633  0.633  0.898  1.0
  Br  Br10  1  0.673  0.673  0.168  1.0
  Br  Br11  1  0.327  0.327  0.832  1.0
  Br  Br12  1  0.367  0.367  0.102  1.0
[/CIF]
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