The crystal structure described by ScCdTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Cd(1) and four equivalent Tl(1) atoms. Cd(1) is bonded to four equivalent Sc(1) atoms to form distorted CdSc4 tetrahedra that share corners with four equivalent Tl(1)Sc4 tetrahedra, corners with twelve equivalent Cd(1)Sc4 tetrahedra, and edges with six equivalent Tl(1)Sc4 tetrahedra. Tl(1) is bonded to four equivalent Sc(1) atoms to form distorted TlSc4 tetrahedra that share corners with four equivalent Cd(1)Sc4 tetrahedra, corners with twelve equivalent Tl(1)Sc4 tetrahedra, and edges with six equivalent Cd(1)Sc4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.865
_cell_length_b   4.865
_cell_length_c   4.865
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   81.396
_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
  Sc  Sc0  1  0.750  0.750  0.750  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by ScCdTl is half-Heusler structured and crystallizes in the cubic F-43m space group. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Cd(1) and four equivalent Tl(1) atoms. Cd(1) is bonded to four equivalent Sc(1) atoms to form distorted CdSc4 tetrahedra that share corners with four equivalent Tl(1)Sc4 tetrahedra, corners with twelve equivalent Cd(1)Sc4 tetrahedra, and edges with six equivalent Tl(1)Sc4 tetrahedra. Tl(1) is bonded to four equivalent Sc(1) atoms to form distorted TlSc4 tetrahedra that share corners with four equivalent Cd(1)Sc4 tetrahedra, corners with twelve equivalent Tl(1)Sc4 tetrahedra, and edges with six equivalent Cd(1)Sc4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScTlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.865
_cell_length_b   4.865
_cell_length_c   4.865
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   81.396
_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
  Sc  Sc0  1  0.750  0.750  0.750  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
[/CIF]
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