The compound described by Mg6CuBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), one Cu(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form a mixture of distorted corner and face-sharing MgMg10Cu2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Cu(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(3), and two equivalent Bi(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_Mg6CuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   6.205
_cell_length_c   6.520
_cell_angle_alpha   118.414
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.658
_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
  Bi  Bi0  1  0.500  0.663  0.325  1.0
  Cu  Cu1  1  0.000  0.880  0.761  1.0
  Mg  Mg2  1  1.000  0.829  0.147  1.0
  Mg  Mg3  1  1.000  0.318  0.147  1.0
  Mg  Mg4  1  0.000  0.326  0.653  1.0
  Mg  Mg5  1  0.500  0.667  0.816  1.0
  Mg  Mg6  1  0.500  0.149  0.816  1.0
  Mg  Mg7  1  0.500  0.168  0.336  1.0
[/CIF]
.
The compound described by Mg6CuBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), one Cu(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form a mixture of distorted corner and face-sharing MgMg10Cu2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Cu(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(3), and two equivalent Bi(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and four equivalent Mg(3) atoms. Bi(1) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the CIF file [CIF]
data_Mg6CuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   6.205
_cell_length_c   6.520
_cell_angle_alpha   118.414
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.658
_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
  Bi  Bi0  1  0.500  0.663  0.325  1.0
  Cu  Cu1  1  0.000  0.880  0.761  1.0
  Mg  Mg2  1  1.000  0.829  0.147  1.0
  Mg  Mg3  1  1.000  0.318  0.147  1.0
  Mg  Mg4  1  0.000  0.326  0.653  1.0
  Mg  Mg5  1  0.500  0.667  0.816  1.0
  Mg  Mg6  1  0.500  0.149  0.816  1.0
  Mg  Mg7  1  0.500  0.168  0.336  1.0
[/CIF]
.