The crystal structure described by MgSmTl crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms. Sm(1) 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 Sm(1) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to six equivalent Mg(1) and three equivalent Sm(1) atoms. is represented by the CIF card [CIF]
data_SmMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.632
_cell_length_b   7.632
_cell_length_c   4.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   236.441
_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
  Sm  Sm0  1  0.427  0.427  0.000  1.0
  Sm  Sm1  1  0.573  1.000  0.000  1.0
  Sm  Sm2  1  1.000  0.573  0.000  1.0
  Mg  Mg3  1  0.000  0.243  0.500  1.0
  Mg  Mg4  1  0.757  0.757  0.500  1.0
  Mg  Mg5  1  0.243  0.000  0.500  1.0
  Tl  Tl6  1  0.667  0.333  0.500  1.0
  Tl  Tl7  1  1.000  1.000  0.000  1.0
  Tl  Tl8  1  0.333  0.667  0.500  1.0
[/CIF]
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The crystal structure described by MgSmTl crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms. Sm(1) 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 Sm(1) atoms. In the second Tl site, Tl(2) is bonded in a 9-coordinate geometry to six equivalent Mg(1) and three equivalent Sm(1) atoms. is represented by the CIF card [CIF]
data_SmMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.632
_cell_length_b   7.632
_cell_length_c   4.687
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   236.441
_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
  Sm  Sm0  1  0.427  0.427  0.000  1.0
  Sm  Sm1  1  0.573  1.000  0.000  1.0
  Sm  Sm2  1  1.000  0.573  0.000  1.0
  Mg  Mg3  1  0.000  0.243  0.500  1.0
  Mg  Mg4  1  0.757  0.757  0.500  1.0
  Mg  Mg5  1  0.243  0.000  0.500  1.0
  Tl  Tl6  1  0.667  0.333  0.500  1.0
  Tl  Tl7  1  1.000  1.000  0.000  1.0
  Tl  Tl8  1  0.333  0.667  0.500  1.0
[/CIF]
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