The compound described by MgCu5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Cu(1,1,1,1) and six Cu(2,2) atoms to form MgCu12 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Mg(1)Cu12 cuboctahedra; edges with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra; faces with eight Cu(2,2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2,2); and six Cu(1,1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2,2)Mg3Cu9 cuboctahedra. In the second Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2,2); and six equivalent Cu(1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2,2)Mg3Cu9 cuboctahedra. In the third Cu site, Cu(2) is bonded to three equivalent Mg(1); three equivalent Cu(2); and six Cu(1,1,1,1) atoms to form distorted CuMg3Cu9 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Cu(2)Mg3Cu9 cuboctahedra; edges with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with four Cu(2,2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to three equivalent Mg(1); three equivalent Cu(2); and six Cu(1,1,1,1) atoms to form distorted CuMg3Cu9 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Cu(2)Mg3Cu9 cuboctahedra; edges with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with four equivalent Cu(2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra. In the fifth Cu site, Cu(2) is bonded to three equivalent Mg(1); three equivalent Cu(2); and six Cu(1,1) atoms to form distorted CuMg3Cu9 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Cu(2)Mg3Cu9 cuboctahedra; edges with twelve Cu(1,1)Mg2Cu10 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with four equivalent Cu(2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1)Mg2Cu10 cuboctahedra. In the sixth Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2); and six Cu(1,1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2)Mg3Cu9 cuboctahedra. In the seventh Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2); and six Cu(1,1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2)Mg3Cu9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.548
_cell_length_b   4.548
_cell_length_c   5.018
_cell_angle_alpha   116.947
_cell_angle_beta   63.053
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   76.611
_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
  Mg  Mg0  1  0.833  0.500  0.500  1.0
  Cu  Cu1  1  0.657  0.323  0.000  1.0
  Cu  Cu2  1  0.333  0.677  0.000  1.0
  Cu  Cu3  1  0.010  1.000  0.000  1.0
  Cu  Cu4  1  0.502  0.831  0.494  1.0
  Cu  Cu5  1  0.165  0.169  0.506  1.0
[/CIF]
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The compound described by MgCu5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Cu(1,1,1,1) and six Cu(2,2) atoms to form MgCu12 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Mg(1)Cu12 cuboctahedra; edges with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra; faces with eight Cu(2,2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2,2); and six Cu(1,1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2,2)Mg3Cu9 cuboctahedra. In the second Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2,2); and six equivalent Cu(1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2,2)Mg3Cu9 cuboctahedra. In the third Cu site, Cu(2) is bonded to three equivalent Mg(1); three equivalent Cu(2); and six Cu(1,1,1,1) atoms to form distorted CuMg3Cu9 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Cu(2)Mg3Cu9 cuboctahedra; edges with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with four Cu(2,2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra. In the fourth Cu site, Cu(2) is bonded to three equivalent Mg(1); three equivalent Cu(2); and six Cu(1,1,1,1) atoms to form distorted CuMg3Cu9 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Cu(2)Mg3Cu9 cuboctahedra; edges with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with four equivalent Cu(2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1,1,1)Mg2Cu10 cuboctahedra. In the fifth Cu site, Cu(2) is bonded to three equivalent Mg(1); three equivalent Cu(2); and six Cu(1,1) atoms to form distorted CuMg3Cu9 cuboctahedra that share corners with six equivalent Mg(1)Cu12 cuboctahedra; corners with twelve Cu(2,2)Mg3Cu9 cuboctahedra; edges with six equivalent Cu(2)Mg3Cu9 cuboctahedra; edges with twelve Cu(1,1)Mg2Cu10 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with four equivalent Cu(2)Mg3Cu9 cuboctahedra; and faces with twelve Cu(1,1)Mg2Cu10 cuboctahedra. In the sixth Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2); and six Cu(1,1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2)Mg3Cu9 cuboctahedra. In the seventh Cu site, Cu(1) is bonded to two equivalent Mg(1); four Cu(2,2); and six Cu(1,1) atoms to form distorted CuMg2Cu10 cuboctahedra that share corners with eighteen Cu(1,1,1)Mg2Cu10 cuboctahedra; edges with four equivalent Mg(1)Cu12 cuboctahedra; edges with six equivalent Cu(1)Mg2Cu10 cuboctahedra; edges with eight Cu(2,2)Mg3Cu9 cuboctahedra; faces with four equivalent Mg(1)Cu12 cuboctahedra; faces with eight Cu(1,1,1)Mg2Cu10 cuboctahedra; and faces with eight Cu(2,2)Mg3Cu9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.548
_cell_length_b   4.548
_cell_length_c   5.018
_cell_angle_alpha   116.947
_cell_angle_beta   63.053
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   76.611
_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
  Mg  Mg0  1  0.833  0.500  0.500  1.0
  Cu  Cu1  1  0.657  0.323  0.000  1.0
  Cu  Cu2  1  0.333  0.677  0.000  1.0
  Cu  Cu3  1  0.010  1.000  0.000  1.0
  Cu  Cu4  1  0.502  0.831  0.494  1.0
  Cu  Cu5  1  0.165  0.169  0.506  1.0
[/CIF]
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