The structure described by ScRuSi crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Ru(1), one Si(2), and four equivalent Si(1) atoms. Ru(1) is bonded in a 10-coordinate geometry to six equivalent Sc(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Ru(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.359
_cell_length_b   6.904
_cell_length_c   6.904
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.620
_cell_formula_units_Z   3
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  0.500  0.599  0.000  1.0
  Sc  Sc1  1  0.500  0.401  0.401  1.0
  Sc  Sc2  1  0.500  1.000  0.599  1.0
  Si  Si3  1  0.000  0.333  0.667  1.0
  Si  Si4  1  0.000  0.667  0.333  1.0
  Si  Si5  1  0.500  1.000  0.000  1.0
  Ru  Ru6  1  0.000  0.252  0.000  1.0
  Ru  Ru7  1  0.000  0.748  0.748  1.0
  Ru  Ru8  1  0.000  1.000  0.252  1.0
[/CIF]
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The structure described by ScRuSi crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Ru(1), one Si(2), and four equivalent Si(1) atoms. Ru(1) is bonded in a 10-coordinate geometry to six equivalent Sc(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Ru(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.359
_cell_length_b   6.904
_cell_length_c   6.904
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.620
_cell_formula_units_Z   3
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  0.500  0.599  0.000  1.0
  Sc  Sc1  1  0.500  0.401  0.401  1.0
  Sc  Sc2  1  0.500  1.000  0.599  1.0
  Si  Si3  1  0.000  0.333  0.667  1.0
  Si  Si4  1  0.000  0.667  0.333  1.0
  Si  Si5  1  0.500  1.000  0.000  1.0
  Ru  Ru6  1  0.000  0.252  0.000  1.0
  Ru  Ru7  1  0.000  0.748  0.748  1.0
  Ru  Ru8  1  0.000  1.000  0.252  1.0
[/CIF]
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