The material structure described by Mg2Tl is zeta silver zinc structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Tl(1) and two equivalent Tl(2) atoms to form a mixture of distorted edge and corner-sharing MgTl4 tetrahedra. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Tl(2) and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Mg(2) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to three equivalent Mg(2) and six equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.055
_cell_length_b   8.055
_cell_length_c   3.698
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   207.811
_cell_formula_units_Z   3
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
  Mg  Mg0  1  0.279  0.000  0.000  1.0
  Mg  Mg1  1  0.379  0.379  0.500  1.0
  Mg  Mg2  1  0.000  0.279  0.000  1.0
  Mg  Mg3  1  0.621  0.000  0.500  1.0
  Mg  Mg4  1  0.000  0.621  0.500  1.0
  Mg  Mg5  1  0.721  0.721  0.000  1.0
  Tl  Tl6  1  0.333  0.667  0.000  1.0
  Tl  Tl7  1  0.000  0.000  0.500  1.0
  Tl  Tl8  1  0.667  0.333  0.000  1.0
[/CIF]
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The material structure described by Mg2Tl is zeta silver zinc structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Tl(1) and two equivalent Tl(2) atoms to form a mixture of distorted edge and corner-sharing MgTl4 tetrahedra. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one Tl(2) and four equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Mg(2) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to three equivalent Mg(2) and six equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.055
_cell_length_b   8.055
_cell_length_c   3.698
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   207.811
_cell_formula_units_Z   3
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
  Mg  Mg0  1  0.279  0.000  0.000  1.0
  Mg  Mg1  1  0.379  0.379  0.500  1.0
  Mg  Mg2  1  0.000  0.279  0.000  1.0
  Mg  Mg3  1  0.621  0.000  0.500  1.0
  Mg  Mg4  1  0.000  0.621  0.500  1.0
  Mg  Mg5  1  0.721  0.721  0.000  1.0
  Tl  Tl6  1  0.333  0.667  0.000  1.0
  Tl  Tl7  1  0.000  0.000  0.500  1.0
  Tl  Tl8  1  0.667  0.333  0.000  1.0
[/CIF]
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