The material structure described by ScSn2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. Sc(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to six equivalent Sc(1) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_ScSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.253
_cell_length_b   4.253
_cell_length_c   15.901
_cell_angle_alpha   97.685
_cell_angle_beta   97.685
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.405
_cell_formula_units_Z   4
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  0.951  0.201  0.402  1.0
  Sc  Sc1  1  0.701  0.451  0.902  1.0
  Sc  Sc2  1  0.049  0.799  0.598  1.0
  Sc  Sc3  1  0.299  0.549  0.098  1.0
  Sn  Sn4  1  0.783  0.033  0.065  1.0
  Sn  Sn5  1  0.533  0.283  0.565  1.0
  Sn  Sn6  1  0.217  0.967  0.935  1.0
  Sn  Sn7  1  0.467  0.717  0.435  1.0
  Sn  Sn8  1  0.125  0.375  0.750  1.0
  Sn  Sn9  1  0.875  0.625  0.250  1.0
  Sn  Sn10  1  0.375  0.125  0.250  1.0
  Sn  Sn11  1  0.625  0.875  0.750  1.0
[/CIF]
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The material structure described by ScSn2 is Zirconium Disilicide-like structured and crystallizes in the tetragonal I4_1/amd space group. Sc(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(3), and six equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to six equivalent Sc(1) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to four equivalent Sc(1) and four equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_ScSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.253
_cell_length_b   4.253
_cell_length_c   15.901
_cell_angle_alpha   97.685
_cell_angle_beta   97.685
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.405
_cell_formula_units_Z   4
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  0.951  0.201  0.402  1.0
  Sc  Sc1  1  0.701  0.451  0.902  1.0
  Sc  Sc2  1  0.049  0.799  0.598  1.0
  Sc  Sc3  1  0.299  0.549  0.098  1.0
  Sn  Sn4  1  0.783  0.033  0.065  1.0
  Sn  Sn5  1  0.533  0.283  0.565  1.0
  Sn  Sn6  1  0.217  0.967  0.935  1.0
  Sn  Sn7  1  0.467  0.717  0.435  1.0
  Sn  Sn8  1  0.125  0.375  0.750  1.0
  Sn  Sn9  1  0.875  0.625  0.250  1.0
  Sn  Sn10  1  0.375  0.125  0.250  1.0
  Sn  Sn11  1  0.625  0.875  0.750  1.0
[/CIF]
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