The material described by ScAgSi 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 Ag(1) and four equivalent Si(1) atoms. Ag(1) is bonded to four equivalent Sc(1) atoms to form AgSc4 tetrahedra that share corners with four equivalent Si(1)Sc4 tetrahedra, corners with twelve equivalent Ag(1)Sc4 tetrahedra, and edges with six equivalent Si(1)Sc4 tetrahedra. Si(1) is bonded to four equivalent Sc(1) atoms to form SiSc4 tetrahedra that share corners with four equivalent Ag(1)Sc4 tetrahedra, corners with twelve equivalent Si(1)Sc4 tetrahedra, and edges with six equivalent Ag(1)Sc4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.513
_cell_length_b   4.513
_cell_length_c   4.513
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.994
_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  0.250  0.250  0.250  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by ScAgSi 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 Ag(1) and four equivalent Si(1) atoms. Ag(1) is bonded to four equivalent Sc(1) atoms to form AgSc4 tetrahedra that share corners with four equivalent Si(1)Sc4 tetrahedra, corners with twelve equivalent Ag(1)Sc4 tetrahedra, and edges with six equivalent Si(1)Sc4 tetrahedra. Si(1) is bonded to four equivalent Sc(1) atoms to form SiSc4 tetrahedra that share corners with four equivalent Ag(1)Sc4 tetrahedra, corners with twelve equivalent Si(1)Sc4 tetrahedra, and edges with six equivalent Ag(1)Sc4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.513
_cell_length_b   4.513
_cell_length_c   4.513
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.994
_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  0.250  0.250  0.250  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Ag  Ag2  1  0.500  0.500  0.500  1.0
[/CIF]
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