The material structure described by BaTl4 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 16-coordinate geometry to three equivalent Tl(2), four equivalent Tl(3), four equivalent Tl(4), and five equivalent Tl(1) atoms. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to five equivalent Ba(1), one Tl(1), one Tl(4), and three equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Tl(3), and three equivalent Tl(4) atoms. In the third Tl site, Tl(3) is bonded in a 8-coordinate geometry to four equivalent Ba(1), one Tl(2), two equivalent Tl(4), and three equivalent Tl(1) atoms. In the fourth Tl site, Tl(4) is bonded in a 11-coordinate geometry to four equivalent Ba(1), one Tl(1), one Tl(4), two equivalent Tl(3), and three equivalent Tl(2) atoms. is represented by the CIF card [CIF]
data_BaTl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   6.893
_cell_length_c   10.007
_cell_angle_alpha   75.145
_cell_angle_beta   74.315
_cell_angle_gamma   66.891
_symmetry_Int_Tables_number   1
_cell_volume   325.689
_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
  Ba  Ba0  1  0.179  0.352  0.290  1.0
  Ba  Ba1  1  0.821  0.648  0.710  1.0
  Tl  Tl2  1  0.405  0.742  0.448  1.0
  Tl  Tl3  1  0.595  0.258  0.552  1.0
  Tl  Tl4  1  0.154  0.731  0.960  1.0
  Tl  Tl5  1  0.846  0.269  0.040  1.0
  Tl  Tl6  1  0.128  0.064  0.680  1.0
  Tl  Tl7  1  0.872  0.936  0.320  1.0
  Tl  Tl8  1  0.550  0.786  0.114  1.0
  Tl  Tl9  1  0.450  0.214  0.886  1.0
[/CIF]
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The material structure described by BaTl4 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 16-coordinate geometry to three equivalent Tl(2), four equivalent Tl(3), four equivalent Tl(4), and five equivalent Tl(1) atoms. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 10-coordinate geometry to five equivalent Ba(1), one Tl(1), one Tl(4), and three equivalent Tl(3) atoms. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Tl(3), and three equivalent Tl(4) atoms. In the third Tl site, Tl(3) is bonded in a 8-coordinate geometry to four equivalent Ba(1), one Tl(2), two equivalent Tl(4), and three equivalent Tl(1) atoms. In the fourth Tl site, Tl(4) is bonded in a 11-coordinate geometry to four equivalent Ba(1), one Tl(1), one Tl(4), two equivalent Tl(3), and three equivalent Tl(2) atoms. is represented by the CIF card [CIF]
data_BaTl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   6.893
_cell_length_c   10.007
_cell_angle_alpha   75.145
_cell_angle_beta   74.315
_cell_angle_gamma   66.891
_symmetry_Int_Tables_number   1
_cell_volume   325.689
_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
  Ba  Ba0  1  0.179  0.352  0.290  1.0
  Ba  Ba1  1  0.821  0.648  0.710  1.0
  Tl  Tl2  1  0.405  0.742  0.448  1.0
  Tl  Tl3  1  0.595  0.258  0.552  1.0
  Tl  Tl4  1  0.154  0.731  0.960  1.0
  Tl  Tl5  1  0.846  0.269  0.040  1.0
  Tl  Tl6  1  0.128  0.064  0.680  1.0
  Tl  Tl7  1  0.872  0.936  0.320  1.0
  Tl  Tl8  1  0.550  0.786  0.114  1.0
  Tl  Tl9  1  0.450  0.214  0.886  1.0
[/CIF]
.