The material structure described by Mg6CoBi 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), two equivalent Mg(4), one Co(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Co(1) atoms. 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 Co(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)Mg10Co2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, and faces with two equivalent Bi(1)Mg10Co2 cuboctahedra. Co(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Co(1) atoms to form BiMg10Co2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Co2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, and faces with two equivalent Bi(1)Mg10Co2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   6.300
_cell_length_c   6.365
_cell_angle_alpha   119.659
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.005
_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  0.671  0.342  1.0
  Co  Co1  1  0.000  0.865  0.729  1.0
  Mg  Mg2  1  1.000  0.306  0.143  1.0
  Mg  Mg3  1  1.000  0.837  0.143  1.0
  Mg  Mg4  1  0.000  0.332  0.665  1.0
  Mg  Mg5  1  0.500  0.143  0.819  1.0
  Mg  Mg6  1  0.500  0.676  0.819  1.0
  Mg  Mg7  1  0.500  0.170  0.340  1.0
[/CIF]
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The material structure described by Mg6CoBi 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), two equivalent Mg(4), one Co(1), and two equivalent Bi(1) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Co(1) atoms. 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 Co(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)Mg10Co2 cuboctahedra, corners with six equivalent Mg(4)Mg10Bi2 cuboctahedra, edges with two equivalent Bi(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, and faces with two equivalent Bi(1)Mg10Co2 cuboctahedra. Co(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent Bi(1) atoms. Bi(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Co(1) atoms to form BiMg10Co2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Bi2 cuboctahedra, corners with six equivalent Bi(1)Mg10Co2 cuboctahedra, edges with two equivalent Mg(4)Mg10Bi2 cuboctahedra, faces with two equivalent Mg(4)Mg10Bi2 cuboctahedra, and faces with two equivalent Bi(1)Mg10Co2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6CoBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.850
_cell_length_b   6.300
_cell_length_c   6.365
_cell_angle_alpha   119.659
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.005
_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  0.671  0.342  1.0
  Co  Co1  1  0.000  0.865  0.729  1.0
  Mg  Mg2  1  1.000  0.306  0.143  1.0
  Mg  Mg3  1  1.000  0.837  0.143  1.0
  Mg  Mg4  1  0.000  0.332  0.665  1.0
  Mg  Mg5  1  0.500  0.143  0.819  1.0
  Mg  Mg6  1  0.500  0.676  0.819  1.0
  Mg  Mg7  1  0.500  0.170  0.340  1.0
[/CIF]
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