The structure described by Mg6YFe crystallizes in the orthorhombic Amm2 space group. There are four 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 Y(1), and two equivalent Fe(1) atoms to form distorted MgY2Mg8Fe2 cuboctahedra that share corners with four equivalent Y(1)Mg10Fe2 cuboctahedra, corners with ten equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, edges with two equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, edges with two equivalent Y(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Y(1), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent Mg(3)Y2Mg10 cuboctahedra, edges with four equivalent Y(1)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent Fe(1) atoms. Y(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted YMg10Fe2 cuboctahedra that share corners with six equivalent Y(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg10 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_YMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.929
_cell_length_c   6.513
_cell_angle_alpha   117.080
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.353
_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
  Fe  Fe0  1  0.500  0.659  0.318  1.0
  Mg  Mg1  1  0.500  0.676  0.857  1.0
  Mg  Mg2  1  0.500  0.180  0.857  1.0
  Mg  Mg3  1  1.000  0.819  0.163  1.0
  Mg  Mg4  1  1.000  0.344  0.163  1.0
  Mg  Mg5  1  1.000  0.338  0.677  1.0
  Mg  Mg6  1  1.000  0.804  0.608  1.0
  Y  Y7  1  0.500  0.179  0.358  1.0
[/CIF]
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The structure described by Mg6YFe crystallizes in the orthorhombic Amm2 space group. There are four 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 Y(1), and two equivalent Fe(1) atoms to form distorted MgY2Mg8Fe2 cuboctahedra that share corners with four equivalent Y(1)Mg10Fe2 cuboctahedra, corners with ten equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, edges with two equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, edges with two equivalent Y(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Y(1), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Y(1) atoms to form distorted MgY2Mg10 cuboctahedra that share corners with six equivalent Mg(3)Y2Mg10 cuboctahedra, edges with four equivalent Y(1)Mg10Fe2 cuboctahedra, edges with eight equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a 2-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and two equivalent Fe(1) atoms. Y(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms to form distorted YMg10Fe2 cuboctahedra that share corners with six equivalent Y(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, edges with four equivalent Mg(3)Y2Mg10 cuboctahedra, edges with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(3)Y2Mg10 cuboctahedra, faces with two equivalent Y(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(1)Y2Mg8Fe2 cuboctahedra. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Y(1) atoms. is represented by the CIF file [CIF]
data_YMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.929
_cell_length_c   6.513
_cell_angle_alpha   117.080
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.353
_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
  Fe  Fe0  1  0.500  0.659  0.318  1.0
  Mg  Mg1  1  0.500  0.676  0.857  1.0
  Mg  Mg2  1  0.500  0.180  0.857  1.0
  Mg  Mg3  1  1.000  0.819  0.163  1.0
  Mg  Mg4  1  1.000  0.344  0.163  1.0
  Mg  Mg5  1  1.000  0.338  0.677  1.0
  Mg  Mg6  1  1.000  0.804  0.608  1.0
  Y  Y7  1  0.500  0.179  0.358  1.0
[/CIF]
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