The structure described by Mg6FeBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) 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 Fe(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 Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Bi2 cuboctahedra, and faces with six equivalent Bi(1)Mg10Fe2 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 Fe(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Bi(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Fe(1)Mg10Bi2 cuboctahedra. Fe(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form FeMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with four equivalent Bi(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form BiMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Fe(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Fe(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6FeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.315
_cell_length_c   6.315
_cell_angle_alpha   119.849
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.119
_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  0.329  0.671  1.0
  Fe  Fe1  1  0.000  0.153  0.847  1.0
  Mg  Mg2  1  0.000  0.686  0.840  1.0
  Mg  Mg3  1  1.000  0.160  0.314  1.0
  Mg  Mg4  1  0.000  0.666  0.334  1.0
  Mg  Mg5  1  0.500  0.850  0.675  1.0
  Mg  Mg6  1  0.500  0.325  0.150  1.0
  Mg  Mg7  1  0.500  0.832  0.168  1.0
[/CIF]
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The structure described by Mg6FeBi crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) 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 Fe(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 Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Bi2 cuboctahedra, corners with six equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Bi2 cuboctahedra, edges with four equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Bi2 cuboctahedra, and faces with six equivalent Bi(1)Mg10Fe2 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 Fe(1), and two equivalent Bi(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form distorted MgMg10Bi2 cuboctahedra that share corners with four equivalent Bi(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Bi(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Fe(1)Mg10Bi2 cuboctahedra. Fe(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Bi(1) atoms to form FeMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Bi2 cuboctahedra, edges with two equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with four equivalent Bi(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Bi2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form BiMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with four equivalent Fe(1)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Fe(1)Mg10Bi2 cuboctahedra, faces with two equivalent Bi(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Fe2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6FeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.005
_cell_length_b   6.315
_cell_length_c   6.315
_cell_angle_alpha   119.849
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   173.119
_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  0.329  0.671  1.0
  Fe  Fe1  1  0.000  0.153  0.847  1.0
  Mg  Mg2  1  0.000  0.686  0.840  1.0
  Mg  Mg3  1  1.000  0.160  0.314  1.0
  Mg  Mg4  1  0.000  0.666  0.334  1.0
  Mg  Mg5  1  0.500  0.850  0.675  1.0
  Mg  Mg6  1  0.500  0.325  0.150  1.0
  Mg  Mg7  1  0.500  0.832  0.168  1.0
[/CIF]
.