The material described by YAgSi crystallizes in the hexagonal P-62m space group. Y(1) is bonded in a 11-coordinate geometry to six equivalent Ag(1), one Si(2), and four equivalent Si(1) atoms. Ag(1) is bonded in a 12-coordinate geometry to six equivalent Y(1), two equivalent Ag(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 Y(1) and three equivalent Ag(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_YSiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.038
_cell_length_c   4.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.882
_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
  Y  Y0  1  0.000  0.417  0.500  1.0
  Y  Y1  1  0.583  0.583  0.500  1.0
  Y  Y2  1  0.417  0.000  0.500  1.0
  Si  Si3  1  0.333  0.667  0.000  1.0
  Si  Si4  1  0.667  0.333  0.000  1.0
  Si  Si5  1  0.000  0.000  0.500  1.0
  Ag  Ag6  1  0.000  0.750  0.000  1.0
  Ag  Ag7  1  0.250  0.250  0.000  1.0
  Ag  Ag8  1  0.750  0.000  0.000  1.0
[/CIF]
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The material described by YAgSi crystallizes in the hexagonal P-62m space group. Y(1) is bonded in a 11-coordinate geometry to six equivalent Ag(1), one Si(2), and four equivalent Si(1) atoms. Ag(1) is bonded in a 12-coordinate geometry to six equivalent Y(1), two equivalent Ag(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 Y(1) and three equivalent Ag(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_YSiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.038
_cell_length_c   4.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.882
_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
  Y  Y0  1  0.000  0.417  0.500  1.0
  Y  Y1  1  0.583  0.583  0.500  1.0
  Y  Y2  1  0.417  0.000  0.500  1.0
  Si  Si3  1  0.333  0.667  0.000  1.0
  Si  Si4  1  0.667  0.333  0.000  1.0
  Si  Si5  1  0.000  0.000  0.500  1.0
  Ag  Ag6  1  0.000  0.750  0.000  1.0
  Ag  Ag7  1  0.250  0.250  0.000  1.0
  Ag  Ag8  1  0.750  0.000  0.000  1.0
[/CIF]
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