The crystal structure described by Mg6FeCo crystallizes in the orthorhombic Amm2 space group. There are seven 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 Co(1) atoms. In the second 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 Co(1) atoms. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four equivalent Mg(3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Co2 cuboctahedra, corners with six equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Co2 cuboctahedra, and faces with six equivalent Co(1)Mg10Fe2 cuboctahedra. In the fourth 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 Co(1) atoms. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3); and two equivalent Co(1) atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent Co(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Mg10Co2 cuboctahedra, edges with two equivalent Co(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Co(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Fe(1)Mg10Co2 cuboctahedra. In the sixth 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 Co(1) atoms. In the seventh 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 Co(1) atoms. Fe(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four Mg(3,3); and two equivalent Co(1) atoms to form FeMg10Co2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Co2 cuboctahedra, edges with two equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with four equivalent Co(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Co2 cuboctahedra, faces with two equivalent Co(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Co2 cuboctahedra. Co(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Fe(1) atoms to form CoMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Co2 cuboctahedra, corners with six equivalent Co(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Co2 cuboctahedra, edges with four equivalent Fe(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Fe(1)Mg10Co2 cuboctahedra, faces with two equivalent Co(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   5.895
_cell_length_c   5.895
_cell_angle_alpha   119.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.023
_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
  Co  Co0  1  0.500  0.323  0.677  1.0
  Fe  Fe1  1  0.000  0.174  0.826  1.0
  Mg  Mg2  1  0.000  0.642  0.825  1.0
  Mg  Mg3  1  0.000  0.175  0.358  1.0
  Mg  Mg4  1  0.000  0.663  0.337  1.0
  Mg  Mg5  1  0.500  0.860  0.674  1.0
  Mg  Mg6  1  0.500  0.326  0.140  1.0
  Mg  Mg7  1  0.500  0.838  0.162  1.0
[/CIF]
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The crystal structure described by Mg6FeCo crystallizes in the orthorhombic Amm2 space group. There are seven 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 Co(1) atoms. In the second 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 Co(1) atoms. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four equivalent Mg(3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)Mg10Co2 cuboctahedra, corners with six equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Co2 cuboctahedra, and faces with six equivalent Co(1)Mg10Fe2 cuboctahedra. In the fourth 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 Co(1) atoms. In the fifth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3); and two equivalent Co(1) atoms to form distorted MgMg10Co2 cuboctahedra that share corners with four equivalent Co(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(4)Mg10Co2 cuboctahedra, edges with two equivalent Co(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Co(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Fe(1)Mg10Co2 cuboctahedra. In the sixth 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 Co(1) atoms. In the seventh 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 Co(1) atoms. Fe(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four Mg(3,3); and two equivalent Co(1) atoms to form FeMg10Co2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)Mg10Co2 cuboctahedra, edges with two equivalent Mg(2)Mg10Fe2 cuboctahedra, edges with four equivalent Co(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg10Fe2 cuboctahedra, faces with two equivalent Fe(1)Mg10Co2 cuboctahedra, faces with two equivalent Co(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Co2 cuboctahedra. Co(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3); and two equivalent Fe(1) atoms to form CoMg10Fe2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Co2 cuboctahedra, corners with six equivalent Co(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(4)Mg10Co2 cuboctahedra, edges with four equivalent Fe(1)Mg10Co2 cuboctahedra, faces with two equivalent Mg(4)Mg10Co2 cuboctahedra, faces with two equivalent Fe(1)Mg10Co2 cuboctahedra, faces with two equivalent Co(1)Mg10Fe2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Fe2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.674
_cell_length_b   5.895
_cell_length_c   5.895
_cell_angle_alpha   119.022
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   142.023
_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
  Co  Co0  1  0.500  0.323  0.677  1.0
  Fe  Fe1  1  0.000  0.174  0.826  1.0
  Mg  Mg2  1  0.000  0.642  0.825  1.0
  Mg  Mg3  1  0.000  0.175  0.358  1.0
  Mg  Mg4  1  0.000  0.663  0.337  1.0
  Mg  Mg5  1  0.500  0.860  0.674  1.0
  Mg  Mg6  1  0.500  0.326  0.140  1.0
  Mg  Mg7  1  0.500  0.838  0.162  1.0
[/CIF]
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