The material structure described by LiScSn is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent Sc(1) and six equivalent Sn(1) atoms to form distorted LiSc4Sn6 tetrahedra that share corners with four equivalent Sn(1)Li6Sc4 tetrahedra, corners with six equivalent Li(1)Sc4Sn6 tetrahedra, edges with six equivalent Sn(1)Li6Sc4 tetrahedra, and faces with twelve equivalent Li(1)Sc4Sn6 tetrahedra. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Sn(1) atoms. Sn(1) is bonded to six equivalent Li(1) and four equivalent Sc(1) atoms to form distorted SnLi6Sc4 tetrahedra that share corners with four equivalent Li(1)Sc4Sn6 tetrahedra, corners with six equivalent Sn(1)Li6Sc4 tetrahedra, edges with six equivalent Li(1)Sc4Sn6 tetrahedra, and faces with twelve equivalent Sn(1)Li6Sc4 tetrahedra. is represented by the CIF file [CIF]
data_LiScSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.774
_cell_length_b   4.774
_cell_length_c   4.774
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   76.926
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.750  0.750  0.750  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by LiScSn is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent Sc(1) and six equivalent Sn(1) atoms to form distorted LiSc4Sn6 tetrahedra that share corners with four equivalent Sn(1)Li6Sc4 tetrahedra, corners with six equivalent Li(1)Sc4Sn6 tetrahedra, edges with six equivalent Sn(1)Li6Sc4 tetrahedra, and faces with twelve equivalent Li(1)Sc4Sn6 tetrahedra. Sc(1) is bonded in a body-centered cubic geometry to four equivalent Li(1) and four equivalent Sn(1) atoms. Sn(1) is bonded to six equivalent Li(1) and four equivalent Sc(1) atoms to form distorted SnLi6Sc4 tetrahedra that share corners with four equivalent Li(1)Sc4Sn6 tetrahedra, corners with six equivalent Sn(1)Li6Sc4 tetrahedra, edges with six equivalent Li(1)Sc4Sn6 tetrahedra, and faces with twelve equivalent Sn(1)Li6Sc4 tetrahedra. is represented by the CIF file [CIF]
data_LiScSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.774
_cell_length_b   4.774
_cell_length_c   4.774
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   76.926
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Sc  Sc1  1  0.750  0.750  0.750  1.0
  Sn  Sn2  1  0.000  0.000  0.000  1.0
[/CIF]
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