The material structure described by Cu3Si is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded to eight equivalent Cu(1) and four equivalent Si(1) atoms to form CuCu8Si4 cuboctahedra that share corners with four equivalent Si(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Cu8Si4 cuboctahedra, edges with six equivalent Si(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Cu8Si4 cuboctahedra, faces with four equivalent Si(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Cu8Si4 cuboctahedra. Si(1) is bonded to twelve equivalent Cu(1) atoms to form SiCu12 cuboctahedra that share corners with six equivalent Si(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Cu8Si4 cuboctahedra, edges with eighteen equivalent Cu(1)Cu8Si4 cuboctahedra, faces with eight equivalent Si(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Cu8Si4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   4.075
_cell_angle_alpha   89.990
_cell_angle_beta   90.010
_cell_angle_gamma   119.982
_symmetry_Int_Tables_number   1
_cell_volume   93.064
_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
  Cu  Cu0  1  0.168  0.336  0.250  1.0
  Cu  Cu1  1  0.664  0.832  0.250  1.0
  Cu  Cu2  1  0.168  0.832  0.250  1.0
  Cu  Cu3  1  0.832  0.664  0.750  1.0
  Cu  Cu4  1  0.336  0.168  0.750  1.0
  Cu  Cu5  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 Cu3Si is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded to eight equivalent Cu(1) and four equivalent Si(1) atoms to form CuCu8Si4 cuboctahedra that share corners with four equivalent Si(1)Cu12 cuboctahedra, corners with fourteen equivalent Cu(1)Cu8Si4 cuboctahedra, edges with six equivalent Si(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(1)Cu8Si4 cuboctahedra, faces with four equivalent Si(1)Cu12 cuboctahedra, and faces with sixteen equivalent Cu(1)Cu8Si4 cuboctahedra. Si(1) is bonded to twelve equivalent Cu(1) atoms to form SiCu12 cuboctahedra that share corners with six equivalent Si(1)Cu12 cuboctahedra, corners with twelve equivalent Cu(1)Cu8Si4 cuboctahedra, edges with eighteen equivalent Cu(1)Cu8Si4 cuboctahedra, faces with eight equivalent Si(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(1)Cu8Si4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.135
_cell_length_b   5.135
_cell_length_c   4.075
_cell_angle_alpha   89.990
_cell_angle_beta   90.010
_cell_angle_gamma   119.982
_symmetry_Int_Tables_number   1
_cell_volume   93.064
_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
  Cu  Cu0  1  0.168  0.336  0.250  1.0
  Cu  Cu1  1  0.664  0.832  0.250  1.0
  Cu  Cu2  1  0.168  0.832  0.250  1.0
  Cu  Cu3  1  0.832  0.664  0.750  1.0
  Cu  Cu4  1  0.336  0.168  0.750  1.0
  Cu  Cu5  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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