The material structure described by ScSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(1) atoms to form ScSn12 cuboctahedra that share corners with four equivalent Sc(1)Sn12 cuboctahedra, edges with eight equivalent Sc(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(1)Sc4Sn8 cuboctahedra, faces with four equivalent Sc(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Sc4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sc(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted SnSc4Sn8 cuboctahedra that share corners with twelve equivalent Sn(1)Sc4Sn8 cuboctahedra, edges with eight equivalent Sc(1)Sn12 cuboctahedra, edges with eight equivalent Sn(1)Sc4Sn8 cuboctahedra, faces with four equivalent Sc(1)Sn12 cuboctahedra, and faces with ten equivalent Sn(1)Sc4Sn8 cuboctahedra. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to four equivalent Sc(1) and eight equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ScSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.945
_cell_length_c   5.945
_cell_angle_alpha   136.127
_cell_angle_beta   136.127
_cell_angle_gamma   63.785
_symmetry_Int_Tables_number   1
_cell_volume   99.603
_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  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by ScSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Sc(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(1) atoms to form ScSn12 cuboctahedra that share corners with four equivalent Sc(1)Sn12 cuboctahedra, edges with eight equivalent Sc(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(1)Sc4Sn8 cuboctahedra, faces with four equivalent Sc(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(1)Sc4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Sc(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted SnSc4Sn8 cuboctahedra that share corners with twelve equivalent Sn(1)Sc4Sn8 cuboctahedra, edges with eight equivalent Sc(1)Sn12 cuboctahedra, edges with eight equivalent Sn(1)Sc4Sn8 cuboctahedra, faces with four equivalent Sc(1)Sn12 cuboctahedra, and faces with ten equivalent Sn(1)Sc4Sn8 cuboctahedra. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to four equivalent Sc(1) and eight equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_ScSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.945
_cell_length_c   5.945
_cell_angle_alpha   136.127
_cell_angle_beta   136.127
_cell_angle_gamma   63.785
_symmetry_Int_Tables_number   1
_cell_volume   99.603
_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  0.000  0.000  0.000  1.0
  Sn  Sn1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.250  0.750  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
[/CIF]
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