The material described by Tm5Tl3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to five equivalent Tl(1) atoms. Tl(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1) and five equivalent Tm(2) atoms. is represented by the CIF file [CIF]
data_Tm5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   8.828
_cell_length_c   8.828
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.163
_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
  Tm  Tm0  1  0.500  0.333  0.667  1.0
  Tm  Tm1  1  0.500  0.667  0.333  1.0
  Tm  Tm2  1  1.000  0.667  0.333  1.0
  Tm  Tm3  1  1.000  0.333  0.667  1.0
  Tm  Tm4  1  0.750  0.236  1.000  1.0
  Tm  Tm5  1  0.750  0.764  0.764  1.0
  Tm  Tm6  1  0.750  1.000  0.236  1.0
  Tm  Tm7  1  0.250  0.764  1.000  1.0
  Tm  Tm8  1  0.250  0.236  0.236  1.0
  Tm  Tm9  1  0.250  0.000  0.764  1.0
  Tl  Tl10  1  0.750  0.599  1.000  1.0
  Tl  Tl11  1  0.750  0.401  0.401  1.0
  Tl  Tl12  1  0.750  1.000  0.599  1.0
  Tl  Tl13  1  0.250  0.401  0.000  1.0
  Tl  Tl14  1  0.250  0.599  0.599  1.0
  Tl  Tl15  1  0.250  0.000  0.401  1.0
[/CIF]
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The material described by Tm5Tl3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to five equivalent Tl(1) atoms. Tl(1) is bonded in a 9-coordinate geometry to four equivalent Tm(1) and five equivalent Tm(2) atoms. is represented by the CIF file [CIF]
data_Tm5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.522
_cell_length_b   8.828
_cell_length_c   8.828
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.163
_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
  Tm  Tm0  1  0.500  0.333  0.667  1.0
  Tm  Tm1  1  0.500  0.667  0.333  1.0
  Tm  Tm2  1  1.000  0.667  0.333  1.0
  Tm  Tm3  1  1.000  0.333  0.667  1.0
  Tm  Tm4  1  0.750  0.236  1.000  1.0
  Tm  Tm5  1  0.750  0.764  0.764  1.0
  Tm  Tm6  1  0.750  1.000  0.236  1.0
  Tm  Tm7  1  0.250  0.764  1.000  1.0
  Tm  Tm8  1  0.250  0.236  0.236  1.0
  Tm  Tm9  1  0.250  0.000  0.764  1.0
  Tl  Tl10  1  0.750  0.599  1.000  1.0
  Tl  Tl11  1  0.750  0.401  0.401  1.0
  Tl  Tl12  1  0.750  1.000  0.599  1.0
  Tl  Tl13  1  0.250  0.401  0.000  1.0
  Tl  Tl14  1  0.250  0.599  0.599  1.0
  Tl  Tl15  1  0.250  0.000  0.401  1.0
[/CIF]
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