The compound described by OsSi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Si(2) and eight equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Os(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded to six equivalent Os(1) and eight equivalent Si(1) atoms to form a mixture of distorted corner and face-sharing SiSi8Os6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   4.306
_cell_length_c   4.306
_cell_angle_alpha   122.192
_cell_angle_beta   122.192
_cell_angle_gamma   86.243
_symmetry_Int_Tables_number   1
_cell_volume   54.453
_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
  Si  Si0  1  0.750  0.250  0.500  1.0
  Si  Si1  1  0.250  0.750  0.500  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Os  Os3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by OsSi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Si(2) and eight equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to four equivalent Os(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded to six equivalent Os(1) and eight equivalent Si(1) atoms to form a mixture of distorted corner and face-sharing SiSi8Os6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   4.306
_cell_length_c   4.306
_cell_angle_alpha   122.192
_cell_angle_beta   122.192
_cell_angle_gamma   86.243
_symmetry_Int_Tables_number   1
_cell_volume   54.453
_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
  Si  Si0  1  0.750  0.250  0.500  1.0
  Si  Si1  1  0.250  0.750  0.500  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Os  Os3  1  0.000  0.000  0.000  1.0
[/CIF]
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