The structure described by Mg6MoBi crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with ten Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra; edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; and faces with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with ten Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra; edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; and faces with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with ten equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra, edges with four equivalent Mo(1)Mg10Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(2); and two equivalent Mo(1) atoms. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four equivalent Mg(2); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra; corners with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; edges with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; edges with four equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with eight Mg(1,1)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; and faces with six equivalent Mo(1)Mg10Bi2 cuboctahedra. Mo(1) is bonded to two equivalent Mg(3); four Mg(1,1); four equivalent Mg(2); and two equivalent Bi(1) atoms to form MoMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with six equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with eight Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(2); and two equivalent Mo(1) atoms to form BiMg10Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with six equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra; edges with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; and faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   6.198
_cell_length_c   6.282
_cell_angle_alpha   119.554
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.738
_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  0.669  0.337  1.0
  Mg  Mg1  1  0.500  0.665  0.833  1.0
  Mg  Mg2  1  0.500  0.169  0.833  1.0
  Mg  Mg3  1  1.000  0.850  0.167  1.0
  Mg  Mg4  1  0.000  0.317  0.167  1.0
  Mg  Mg5  1  0.000  0.327  0.653  1.0
  Mg  Mg6  1  0.000  0.838  0.677  1.0
  Mo  Mo7  1  0.500  0.166  0.332  1.0
[/CIF]
.
The structure described by Mg6MoBi crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with ten Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra; edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; and faces with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with ten Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra; edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; and faces with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Bi(1) atoms to form distorted MgMg8Bi2Mo2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with ten equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra, edges with four equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra, edges with four equivalent Mo(1)Mg10Bi2 cuboctahedra, edges with four equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Bi2Mo2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(2); and two equivalent Mo(1) atoms. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(3); four Mg(1,1); four equivalent Mg(2); and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra; corners with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; edges with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; edges with four equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with eight Mg(1,1)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; and faces with six equivalent Mo(1)Mg10Bi2 cuboctahedra. Mo(1) is bonded to two equivalent Mg(3); four Mg(1,1); four equivalent Mg(2); and two equivalent Bi(1) atoms to form MoMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with six equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with eight Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Bi(1)Mg10Mo2 cuboctahedra; edges with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(2); and two equivalent Mo(1) atoms to form BiMg10Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Bi2 cuboctahedra; corners with six equivalent Bi(1)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra; edges with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; edges with eight equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra; faces with two equivalent Mo(1)Mg10Bi2 cuboctahedra; faces with two equivalent Bi(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Bi2Mo2 cuboctahedra; and faces with four equivalent Mg(2)Mg8Bi2Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   6.198
_cell_length_c   6.282
_cell_angle_alpha   119.554
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.738
_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  0.669  0.337  1.0
  Mg  Mg1  1  0.500  0.665  0.833  1.0
  Mg  Mg2  1  0.500  0.169  0.833  1.0
  Mg  Mg3  1  1.000  0.850  0.167  1.0
  Mg  Mg4  1  0.000  0.317  0.167  1.0
  Mg  Mg5  1  0.000  0.327  0.653  1.0
  Mg  Mg6  1  0.000  0.838  0.677  1.0
  Mo  Mo7  1  0.500  0.166  0.332  1.0
[/CIF]
.