The compound described by Cu3Si is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Si(1) atoms to form CuCu8Si4 cuboctahedra that share corners with twelve equivalent Cu(1)Cu8Si4 cuboctahedra, edges with eight equivalent Cu(1)Cu8Si4 cuboctahedra, edges with eight equivalent Cu(2)Cu8Si4 cuboctahedra, edges with eight equivalent Si(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Cu8Si4 cuboctahedra, faces with four equivalent Si(1)Cu12 cuboctahedra, and faces with ten equivalent Cu(1)Cu8Si4 cuboctahedra. In the second Cu site, Cu(2) is bonded to eight equivalent Cu(1) and four equivalent Si(1) atoms to form CuCu8Si4 cuboctahedra that share corners with four equivalent Cu(2)Cu8Si4 cuboctahedra, corners with eight equivalent Si(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Cu8Si4 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Si4 cuboctahedra, faces with four equivalent Cu(2)Cu8Si4 cuboctahedra, faces with six equivalent Si(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Cu8Si4 cuboctahedra. Si(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form SiCu12 cuboctahedra that share corners with four equivalent Si(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Cu8Si4 cuboctahedra, edges with eight equivalent Si(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Si4 cuboctahedra, faces with four equivalent Si(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Cu8Si4 cuboctahedra, and faces with eight 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   4.392
_cell_length_b   4.392
_cell_length_c   4.392
_cell_angle_alpha   131.657
_cell_angle_beta   131.657
_cell_angle_gamma   70.771
_symmetry_Int_Tables_number   1
_cell_volume   46.321
_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
  Cu  Cu0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Cu3Si is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Si(1) atoms to form CuCu8Si4 cuboctahedra that share corners with twelve equivalent Cu(1)Cu8Si4 cuboctahedra, edges with eight equivalent Cu(1)Cu8Si4 cuboctahedra, edges with eight equivalent Cu(2)Cu8Si4 cuboctahedra, edges with eight equivalent Si(1)Cu12 cuboctahedra, faces with four equivalent Cu(2)Cu8Si4 cuboctahedra, faces with four equivalent Si(1)Cu12 cuboctahedra, and faces with ten equivalent Cu(1)Cu8Si4 cuboctahedra. In the second Cu site, Cu(2) is bonded to eight equivalent Cu(1) and four equivalent Si(1) atoms to form CuCu8Si4 cuboctahedra that share corners with four equivalent Cu(2)Cu8Si4 cuboctahedra, corners with eight equivalent Si(1)Cu12 cuboctahedra, edges with eight equivalent Cu(2)Cu8Si4 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Si4 cuboctahedra, faces with four equivalent Cu(2)Cu8Si4 cuboctahedra, faces with six equivalent Si(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(1)Cu8Si4 cuboctahedra. Si(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form SiCu12 cuboctahedra that share corners with four equivalent Si(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Cu8Si4 cuboctahedra, edges with eight equivalent Si(1)Cu12 cuboctahedra, edges with sixteen equivalent Cu(1)Cu8Si4 cuboctahedra, faces with four equivalent Si(1)Cu12 cuboctahedra, faces with six equivalent Cu(2)Cu8Si4 cuboctahedra, and faces with eight 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   4.392
_cell_length_b   4.392
_cell_length_c   4.392
_cell_angle_alpha   131.657
_cell_angle_beta   131.657
_cell_angle_gamma   70.771
_symmetry_Int_Tables_number   1
_cell_volume   46.321
_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
  Cu  Cu0  1  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
[/CIF]
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