The material described by Tb5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second Tb site, Tb(2) is bonded in a 4-coordinate geometry to four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Tb(2) and eight equivalent Tb(1) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Tb(1) and two equivalent Tl(2) atoms. is represented by the CIF card [CIF]
data_Tb5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.229
_cell_length_b   9.181
_cell_length_c   9.181
_cell_angle_alpha   83.391
_cell_angle_beta   70.169
_cell_angle_gamma   70.169
_symmetry_Int_Tables_number   1
_cell_volume   464.645
_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
  Tb  Tb0  1  0.717  0.700  0.866  1.0
  Tb  Tb1  1  0.283  0.300  0.134  1.0
  Tb  Tb2  1  0.783  0.134  0.300  1.0
  Tb  Tb3  1  0.217  0.866  0.700  1.0
  Tb  Tb4  1  0.583  0.134  0.700  1.0
  Tb  Tb5  1  0.417  0.866  0.300  1.0
  Tb  Tb6  1  0.083  0.700  0.134  1.0
  Tb  Tb7  1  0.917  0.300  0.866  1.0
  Tb  Tb8  1  0.250  0.500  0.500  1.0
  Tb  Tb9  1  0.750  0.500  0.500  1.0
  Tl  Tl10  1  0.161  0.177  0.500  1.0
  Tl  Tl11  1  0.839  0.823  0.500  1.0
  Tl  Tl12  1  0.339  0.500  0.823  1.0
  Tl  Tl13  1  0.661  0.500  0.177  1.0
  Tl  Tl14  1  0.750  0.000  0.000  1.0
  Tl  Tl15  1  0.250  0.000  0.000  1.0
[/CIF]
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The material described by Tb5Tl3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. In the second Tb site, Tb(2) is bonded in a 4-coordinate geometry to four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to two equivalent Tb(2) and eight equivalent Tb(1) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to eight equivalent Tb(1) and two equivalent Tl(2) atoms. is represented by the CIF card [CIF]
data_Tb5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.229
_cell_length_b   9.181
_cell_length_c   9.181
_cell_angle_alpha   83.391
_cell_angle_beta   70.169
_cell_angle_gamma   70.169
_symmetry_Int_Tables_number   1
_cell_volume   464.645
_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
  Tb  Tb0  1  0.717  0.700  0.866  1.0
  Tb  Tb1  1  0.283  0.300  0.134  1.0
  Tb  Tb2  1  0.783  0.134  0.300  1.0
  Tb  Tb3  1  0.217  0.866  0.700  1.0
  Tb  Tb4  1  0.583  0.134  0.700  1.0
  Tb  Tb5  1  0.417  0.866  0.300  1.0
  Tb  Tb6  1  0.083  0.700  0.134  1.0
  Tb  Tb7  1  0.917  0.300  0.866  1.0
  Tb  Tb8  1  0.250  0.500  0.500  1.0
  Tb  Tb9  1  0.750  0.500  0.500  1.0
  Tl  Tl10  1  0.161  0.177  0.500  1.0
  Tl  Tl11  1  0.839  0.823  0.500  1.0
  Tl  Tl12  1  0.339  0.500  0.823  1.0
  Tl  Tl13  1  0.661  0.500  0.177  1.0
  Tl  Tl14  1  0.750  0.000  0.000  1.0
  Tl  Tl15  1  0.250  0.000  0.000  1.0
[/CIF]
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