The material described by Sc3Sn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to eight equivalent Sc(1) and four equivalent Sn(1) atoms to form distorted ScSc8Sn4 cuboctahedra that share corners with four equivalent Sn(1)Sc12 cuboctahedra, corners with fourteen equivalent Sc(1)Sc8Sn4 cuboctahedra, edges with six equivalent Sn(1)Sc12 cuboctahedra, edges with twelve equivalent Sc(1)Sc8Sn4 cuboctahedra, faces with four equivalent Sn(1)Sc12 cuboctahedra, and faces with sixteen equivalent Sc(1)Sc8Sn4 cuboctahedra. Sn(1) is bonded to twelve equivalent Sc(1) atoms to form SnSc12 cuboctahedra that share corners with six equivalent Sn(1)Sc12 cuboctahedra, corners with twelve equivalent Sc(1)Sc8Sn4 cuboctahedra, edges with eighteen equivalent Sc(1)Sc8Sn4 cuboctahedra, faces with eight equivalent Sn(1)Sc12 cuboctahedra, and faces with twelve equivalent Sc(1)Sc8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Sc3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.374
_cell_length_b   6.374
_cell_length_c   5.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.915
_cell_formula_units_Z   2
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  0.169  0.338  0.250  1.0
  Sc  Sc1  1  0.662  0.831  0.250  1.0
  Sc  Sc2  1  0.169  0.831  0.250  1.0
  Sc  Sc3  1  0.831  0.662  0.750  1.0
  Sc  Sc4  1  0.338  0.169  0.750  1.0
  Sc  Sc5  1  0.831  0.169  0.750  1.0
  Sn  Sn6  1  0.333  0.667  0.750  1.0
  Sn  Sn7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by Sc3Sn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to eight equivalent Sc(1) and four equivalent Sn(1) atoms to form distorted ScSc8Sn4 cuboctahedra that share corners with four equivalent Sn(1)Sc12 cuboctahedra, corners with fourteen equivalent Sc(1)Sc8Sn4 cuboctahedra, edges with six equivalent Sn(1)Sc12 cuboctahedra, edges with twelve equivalent Sc(1)Sc8Sn4 cuboctahedra, faces with four equivalent Sn(1)Sc12 cuboctahedra, and faces with sixteen equivalent Sc(1)Sc8Sn4 cuboctahedra. Sn(1) is bonded to twelve equivalent Sc(1) atoms to form SnSc12 cuboctahedra that share corners with six equivalent Sn(1)Sc12 cuboctahedra, corners with twelve equivalent Sc(1)Sc8Sn4 cuboctahedra, edges with eighteen equivalent Sc(1)Sc8Sn4 cuboctahedra, faces with eight equivalent Sn(1)Sc12 cuboctahedra, and faces with twelve equivalent Sc(1)Sc8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Sc3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.374
_cell_length_b   6.374
_cell_length_c   5.199
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.915
_cell_formula_units_Z   2
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  0.169  0.338  0.250  1.0
  Sc  Sc1  1  0.662  0.831  0.250  1.0
  Sc  Sc2  1  0.169  0.831  0.250  1.0
  Sc  Sc3  1  0.831  0.662  0.750  1.0
  Sc  Sc4  1  0.338  0.169  0.750  1.0
  Sc  Sc5  1  0.831  0.169  0.750  1.0
  Sn  Sn6  1  0.333  0.667  0.750  1.0
  Sn  Sn7  1  0.667  0.333  0.250  1.0
[/CIF]
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