The material described by SrSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. Sr(1) is bonded to twelve Si(1,1) atoms to form a mixture of face and edge-sharing SrSi12 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three equivalent Si(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three Si(1,1) atoms. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three Si(1,1) atoms. In the fourth Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three Si(1,1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   4.438
_cell_length_c   7.608
_cell_angle_alpha   106.957
_cell_angle_beta   106.957
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.496
_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
  Sr  Sr0  1  0.625  0.875  0.750  1.0
  Sr  Sr1  1  0.375  0.125  0.250  1.0
  Si  Si2  1  0.209  0.459  0.917  1.0
  Si  Si3  1  0.959  0.709  0.417  1.0
  Si  Si4  1  0.041  0.291  0.583  1.0
  Si  Si5  1  0.791  0.541  0.083  1.0
[/CIF]
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The material described by SrSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. Sr(1) is bonded to twelve Si(1,1) atoms to form a mixture of face and edge-sharing SrSi12 cuboctahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three equivalent Si(1) atoms. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three Si(1,1) atoms. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three Si(1,1) atoms. In the fourth Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sr(1) and three Si(1,1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   4.438
_cell_length_c   7.608
_cell_angle_alpha   106.957
_cell_angle_beta   106.957
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.496
_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
  Sr  Sr0  1  0.625  0.875  0.750  1.0
  Sr  Sr1  1  0.375  0.125  0.250  1.0
  Si  Si2  1  0.209  0.459  0.917  1.0
  Si  Si3  1  0.959  0.709  0.417  1.0
  Si  Si4  1  0.041  0.291  0.583  1.0
  Si  Si5  1  0.791  0.541  0.083  1.0
[/CIF]
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