The material described by Mg2Cu3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded in a 12-coordinate geometry to nine equivalent Cu(1) and three equivalent Si(1) atoms. Cu(1) is bonded to six equivalent Mg(1), four equivalent Cu(1), and two equivalent Si(1) atoms to form CuMg6Cu4Si2 cuboctahedra that share corners with four equivalent Si(1)Mg6Cu6 cuboctahedra, corners with fourteen equivalent Cu(1)Mg6Cu4Si2 cuboctahedra, edges with six equivalent Cu(1)Mg6Cu4Si2 cuboctahedra, faces with six equivalent Si(1)Mg6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Mg6Cu4Si2 cuboctahedra. Si(1) is bonded to six equivalent Mg(1) and six equivalent Cu(1) atoms to form SiMg6Cu6 cuboctahedra that share corners with twelve equivalent Cu(1)Mg6Cu4Si2 cuboctahedra, edges with six equivalent Si(1)Mg6Cu6 cuboctahedra, faces with two equivalent Si(1)Mg6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Mg6Cu4Si2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Cu3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   4.972
_cell_length_c   7.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   167.078
_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
  Mg  Mg0  1  0.333  0.667  0.061  1.0
  Mg  Mg1  1  0.667  0.333  0.561  1.0
  Mg  Mg2  1  0.667  0.333  0.939  1.0
  Mg  Mg3  1  0.333  0.667  0.439  1.0
  Cu  Cu4  1  0.169  0.337  0.750  1.0
  Cu  Cu5  1  0.831  0.169  0.250  1.0
  Cu  Cu6  1  0.337  0.169  0.250  1.0
  Cu  Cu7  1  0.663  0.831  0.750  1.0
  Cu  Cu8  1  0.169  0.831  0.750  1.0
  Cu  Cu9  1  0.831  0.663  0.250  1.0
  Si  Si10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Mg2Cu3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded in a 12-coordinate geometry to nine equivalent Cu(1) and three equivalent Si(1) atoms. Cu(1) is bonded to six equivalent Mg(1), four equivalent Cu(1), and two equivalent Si(1) atoms to form CuMg6Cu4Si2 cuboctahedra that share corners with four equivalent Si(1)Mg6Cu6 cuboctahedra, corners with fourteen equivalent Cu(1)Mg6Cu4Si2 cuboctahedra, edges with six equivalent Cu(1)Mg6Cu4Si2 cuboctahedra, faces with six equivalent Si(1)Mg6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Mg6Cu4Si2 cuboctahedra. Si(1) is bonded to six equivalent Mg(1) and six equivalent Cu(1) atoms to form SiMg6Cu6 cuboctahedra that share corners with twelve equivalent Cu(1)Mg6Cu4Si2 cuboctahedra, edges with six equivalent Si(1)Mg6Cu6 cuboctahedra, faces with two equivalent Si(1)Mg6Cu6 cuboctahedra, and faces with eighteen equivalent Cu(1)Mg6Cu4Si2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg2Cu3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   4.972
_cell_length_c   7.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   167.078
_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
  Mg  Mg0  1  0.333  0.667  0.061  1.0
  Mg  Mg1  1  0.667  0.333  0.561  1.0
  Mg  Mg2  1  0.667  0.333  0.939  1.0
  Mg  Mg3  1  0.333  0.667  0.439  1.0
  Cu  Cu4  1  0.169  0.337  0.750  1.0
  Cu  Cu5  1  0.831  0.169  0.250  1.0
  Cu  Cu6  1  0.337  0.169  0.250  1.0
  Cu  Cu7  1  0.663  0.831  0.750  1.0
  Cu  Cu8  1  0.169  0.831  0.750  1.0
  Cu  Cu9  1  0.831  0.663  0.250  1.0
  Si  Si10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.000  0.000  0.500  1.0
[/CIF]
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