The material structure described by Ga3Si crystallizes in the hexagonal P6_3/mmc space group. Ga(1) is bonded to eight equivalent Ga(1) and four equivalent Si(1) atoms to form GaGa8Si4 cuboctahedra that share corners with four equivalent Si(1)Ga12 cuboctahedra, corners with fourteen equivalent Ga(1)Ga8Si4 cuboctahedra, edges with six equivalent Si(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Ga8Si4 cuboctahedra, faces with four equivalent Si(1)Ga12 cuboctahedra, and faces with sixteen equivalent Ga(1)Ga8Si4 cuboctahedra. Si(1) is bonded to twelve equivalent Ga(1) atoms to form SiGa12 cuboctahedra that share corners with six equivalent Si(1)Ga12 cuboctahedra, corners with twelve equivalent Ga(1)Ga8Si4 cuboctahedra, edges with eighteen equivalent Ga(1)Ga8Si4 cuboctahedra, faces with eight equivalent Si(1)Ga12 cuboctahedra, and faces with twelve equivalent Ga(1)Ga8Si4 cuboctahedra. is represented by the CIF card [CIF]
data_Ga3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.008
_cell_length_b   6.008
_cell_length_c   4.672
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   146.019
_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
  Ga  Ga0  1  0.168  0.337  0.250  1.0
  Ga  Ga1  1  0.663  0.832  0.250  1.0
  Ga  Ga2  1  0.168  0.832  0.250  1.0
  Ga  Ga3  1  0.832  0.663  0.750  1.0
  Ga  Ga4  1  0.337  0.168  0.750  1.0
  Ga  Ga5  1  0.832  0.168  0.750  1.0
  Si  Si6  1  0.333  0.667  0.750  1.0
  Si  Si7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Ga3Si crystallizes in the hexagonal P6_3/mmc space group. Ga(1) is bonded to eight equivalent Ga(1) and four equivalent Si(1) atoms to form GaGa8Si4 cuboctahedra that share corners with four equivalent Si(1)Ga12 cuboctahedra, corners with fourteen equivalent Ga(1)Ga8Si4 cuboctahedra, edges with six equivalent Si(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Ga8Si4 cuboctahedra, faces with four equivalent Si(1)Ga12 cuboctahedra, and faces with sixteen equivalent Ga(1)Ga8Si4 cuboctahedra. Si(1) is bonded to twelve equivalent Ga(1) atoms to form SiGa12 cuboctahedra that share corners with six equivalent Si(1)Ga12 cuboctahedra, corners with twelve equivalent Ga(1)Ga8Si4 cuboctahedra, edges with eighteen equivalent Ga(1)Ga8Si4 cuboctahedra, faces with eight equivalent Si(1)Ga12 cuboctahedra, and faces with twelve equivalent Ga(1)Ga8Si4 cuboctahedra. is represented by the CIF card [CIF]
data_Ga3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.008
_cell_length_b   6.008
_cell_length_c   4.672
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   146.019
_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
  Ga  Ga0  1  0.168  0.337  0.250  1.0
  Ga  Ga1  1  0.663  0.832  0.250  1.0
  Ga  Ga2  1  0.168  0.832  0.250  1.0
  Ga  Ga3  1  0.832  0.663  0.750  1.0
  Ga  Ga4  1  0.337  0.168  0.750  1.0
  Ga  Ga5  1  0.832  0.168  0.750  1.0
  Si  Si6  1  0.333  0.667  0.750  1.0
  Si  Si7  1  0.667  0.333  0.250  1.0
[/CIF]
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