The compound described by MgYTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Y(1) atoms to form distorted MgY4 tetrahedra that share corners with four equivalent Tl(1)Y4 tetrahedra, corners with twelve equivalent Mg(1)Y4 tetrahedra, and edges with six equivalent Tl(1)Y4 tetrahedra. Y(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Y(1) atoms to form TlY4 tetrahedra that share corners with four equivalent Mg(1)Y4 tetrahedra, corners with twelve equivalent Tl(1)Y4 tetrahedra, and edges with six equivalent Mg(1)Y4 tetrahedra. is represented by the CIF card [CIF]
data_YMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.061
_cell_length_b   5.061
_cell_length_c   5.061
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   91.658
_cell_formula_units_Z   1
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
  Y  Y0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by MgYTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Y(1) atoms to form distorted MgY4 tetrahedra that share corners with four equivalent Tl(1)Y4 tetrahedra, corners with twelve equivalent Mg(1)Y4 tetrahedra, and edges with six equivalent Tl(1)Y4 tetrahedra. Y(1) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Y(1) atoms to form TlY4 tetrahedra that share corners with four equivalent Mg(1)Y4 tetrahedra, corners with twelve equivalent Tl(1)Y4 tetrahedra, and edges with six equivalent Mg(1)Y4 tetrahedra. is represented by the CIF card [CIF]
data_YMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.061
_cell_length_b   5.061
_cell_length_c   5.061
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   91.658
_cell_formula_units_Z   1
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
  Y  Y0  1  0.750  0.750  0.750  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
[/CIF]
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