The crystal structure described by Sr(HgTl)2 crystallizes in the tetragonal P4_2/mnm space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent Hg(1), four equivalent Hg(2), and four equivalent Tl(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Hg(2), two equivalent Hg(1), and two equivalent Tl(1) atoms. In the second Hg site, Hg(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), two equivalent Hg(2), and two equivalent Tl(1) atoms. Tl(1) is bonded in a 9-coordinate geometry to two equivalent Sr(1), one Hg(1), one Hg(2), and five equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(TlHg)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.947
_cell_length_b   10.947
_cell_length_c   5.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.922
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.354  0.354  0.000  1.0
  Sr  Sr1  1  0.646  0.646  0.000  1.0
  Sr  Sr2  1  0.854  0.146  0.500  1.0
  Sr  Sr3  1  0.146  0.854  0.500  1.0
  Tl  Tl4  1  0.643  0.028  0.000  1.0
  Tl  Tl5  1  0.357  0.972  0.000  1.0
  Tl  Tl6  1  0.528  0.857  0.500  1.0
  Tl  Tl7  1  0.143  0.472  0.500  1.0
  Tl  Tl8  1  0.472  0.143  0.500  1.0
  Tl  Tl9  1  0.857  0.528  0.500  1.0
  Tl  Tl10  1  0.028  0.643  0.000  1.0
  Tl  Tl11  1  0.972  0.357  0.000  1.0
  Hg  Hg12  1  0.689  0.311  0.000  1.0
  Hg  Hg13  1  0.311  0.689  0.000  1.0
  Hg  Hg14  1  0.811  0.811  0.500  1.0
  Hg  Hg15  1  0.189  0.189  0.500  1.0
  Hg  Hg16  1  0.094  0.094  0.000  1.0
  Hg  Hg17  1  0.906  0.906  0.000  1.0
  Hg  Hg18  1  0.594  0.406  0.500  1.0
  Hg  Hg19  1  0.406  0.594  0.500  1.0
[/CIF]
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The crystal structure described by Sr(HgTl)2 crystallizes in the tetragonal P4_2/mnm space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent Hg(1), four equivalent Hg(2), and four equivalent Tl(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(2) is bonded in a 9-coordinate geometry to four equivalent Sr(1), one Hg(2), two equivalent Hg(1), and two equivalent Tl(1) atoms. In the second Hg site, Hg(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), two equivalent Hg(2), and two equivalent Tl(1) atoms. Tl(1) is bonded in a 9-coordinate geometry to two equivalent Sr(1), one Hg(1), one Hg(2), and five equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr(TlHg)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.947
_cell_length_b   10.947
_cell_length_c   5.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.922
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.354  0.354  0.000  1.0
  Sr  Sr1  1  0.646  0.646  0.000  1.0
  Sr  Sr2  1  0.854  0.146  0.500  1.0
  Sr  Sr3  1  0.146  0.854  0.500  1.0
  Tl  Tl4  1  0.643  0.028  0.000  1.0
  Tl  Tl5  1  0.357  0.972  0.000  1.0
  Tl  Tl6  1  0.528  0.857  0.500  1.0
  Tl  Tl7  1  0.143  0.472  0.500  1.0
  Tl  Tl8  1  0.472  0.143  0.500  1.0
  Tl  Tl9  1  0.857  0.528  0.500  1.0
  Tl  Tl10  1  0.028  0.643  0.000  1.0
  Tl  Tl11  1  0.972  0.357  0.000  1.0
  Hg  Hg12  1  0.689  0.311  0.000  1.0
  Hg  Hg13  1  0.311  0.689  0.000  1.0
  Hg  Hg14  1  0.811  0.811  0.500  1.0
  Hg  Hg15  1  0.189  0.189  0.500  1.0
  Hg  Hg16  1  0.094  0.094  0.000  1.0
  Hg  Hg17  1  0.906  0.906  0.000  1.0
  Hg  Hg18  1  0.594  0.406  0.500  1.0
  Hg  Hg19  1  0.406  0.594  0.500  1.0
[/CIF]
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