The material described by AgSi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to four equivalent Si(2) and eight equivalent Si(1) atoms to form AgSi12 cuboctahedra that share corners with four equivalent Ag(1)Si12 cuboctahedra, corners with eight equivalent Si(2)Si8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Si12 cuboctahedra, faces with four equivalent Ag(1)Si12 cuboctahedra, and faces with six equivalent Si(2)Si8Ag4 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Ag(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded to four equivalent Ag(1) and eight equivalent Si(1) atoms to form SiSi8Ag4 cuboctahedra that share corners with four equivalent Si(2)Si8Ag4 cuboctahedra, corners with eight equivalent Ag(1)Si12 cuboctahedra, edges with eight equivalent Si(2)Si8Ag4 cuboctahedra, faces with four equivalent Si(2)Si8Ag4 cuboctahedra, and faces with six equivalent Ag(1)Si12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.721
_cell_length_b   4.721
_cell_length_c   4.721
_cell_angle_alpha   127.675
_cell_angle_beta   127.675
_cell_angle_gamma   77.152
_symmetry_Int_Tables_number   1
_cell_volume   63.968
_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
  Ag  Ag3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by AgSi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Ag(1) is bonded to four equivalent Si(2) and eight equivalent Si(1) atoms to form AgSi12 cuboctahedra that share corners with four equivalent Ag(1)Si12 cuboctahedra, corners with eight equivalent Si(2)Si8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Si12 cuboctahedra, faces with four equivalent Ag(1)Si12 cuboctahedra, and faces with six equivalent Si(2)Si8Ag4 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Ag(1) and four equivalent Si(2) atoms. In the second Si site, Si(2) is bonded to four equivalent Ag(1) and eight equivalent Si(1) atoms to form SiSi8Ag4 cuboctahedra that share corners with four equivalent Si(2)Si8Ag4 cuboctahedra, corners with eight equivalent Ag(1)Si12 cuboctahedra, edges with eight equivalent Si(2)Si8Ag4 cuboctahedra, faces with four equivalent Si(2)Si8Ag4 cuboctahedra, and faces with six equivalent Ag(1)Si12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.721
_cell_length_b   4.721
_cell_length_c   4.721
_cell_angle_alpha   127.675
_cell_angle_beta   127.675
_cell_angle_gamma   77.152
_symmetry_Int_Tables_number   1
_cell_volume   63.968
_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
  Ag  Ag3  1  0.000  0.000  0.000  1.0
[/CIF]
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