The crystal structure described by Er5Tl3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. In the second Er site, Er(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 Er(1) and five equivalent Er(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   8.873
_cell_length_c   8.873
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.092
_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
  Er  Er0  1  0.500  0.333  0.667  1.0
  Er  Er1  1  0.500  0.667  0.333  1.0
  Er  Er2  1  1.000  0.667  0.333  1.0
  Er  Er3  1  1.000  0.333  0.667  1.0
  Er  Er4  1  0.750  0.236  0.000  1.0
  Er  Er5  1  0.750  0.764  0.764  1.0
  Er  Er6  1  0.750  0.000  0.236  1.0
  Er  Er7  1  0.250  0.764  1.000  1.0
  Er  Er8  1  0.250  0.236  0.236  1.0
  Er  Er9  1  0.250  1.000  0.764  1.0
  Tl  Tl10  1  0.750  0.598  0.000  1.0
  Tl  Tl11  1  0.750  0.402  0.402  1.0
  Tl  Tl12  1  0.750  0.000  0.598  1.0
  Tl  Tl13  1  0.250  0.402  1.000  1.0
  Tl  Tl14  1  0.250  0.598  0.598  1.0
  Tl  Tl15  1  0.250  1.000  0.402  1.0
[/CIF]
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The crystal structure described by Er5Tl3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to six equivalent Tl(1) atoms. In the second Er site, Er(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 Er(1) and five equivalent Er(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5Tl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   8.873
_cell_length_c   8.873
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.092
_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
  Er  Er0  1  0.500  0.333  0.667  1.0
  Er  Er1  1  0.500  0.667  0.333  1.0
  Er  Er2  1  1.000  0.667  0.333  1.0
  Er  Er3  1  1.000  0.333  0.667  1.0
  Er  Er4  1  0.750  0.236  0.000  1.0
  Er  Er5  1  0.750  0.764  0.764  1.0
  Er  Er6  1  0.750  0.000  0.236  1.0
  Er  Er7  1  0.250  0.764  1.000  1.0
  Er  Er8  1  0.250  0.236  0.236  1.0
  Er  Er9  1  0.250  1.000  0.764  1.0
  Tl  Tl10  1  0.750  0.598  0.000  1.0
  Tl  Tl11  1  0.750  0.402  0.402  1.0
  Tl  Tl12  1  0.750  0.000  0.598  1.0
  Tl  Tl13  1  0.250  0.402  1.000  1.0
  Tl  Tl14  1  0.250  0.598  0.598  1.0
  Tl  Tl15  1  0.250  1.000  0.402  1.0
[/CIF]
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