The material described by Mg6WFe 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 W(1), and two equivalent Fe(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 Fe(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 W(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form a mixture of distorted corner and face-sharing WMg10Fe2 cuboctahedra. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.684
_cell_length_b   5.850
_cell_length_c   6.188
_cell_angle_alpha   118.208
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.444
_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  0.000  0.802  0.604  1.0
  Mg  Mg1  1  1.000  0.343  0.163  1.0
  Mg  Mg2  1  0.000  0.819  0.163  1.0
  Mg  Mg3  1  0.000  0.326  0.653  1.0
  Mg  Mg4  1  0.500  0.165  0.846  1.0
  Mg  Mg5  1  0.500  0.681  0.846  1.0
  Mg  Mg6  1  0.500  0.171  0.341  1.0
  W  W7  1  0.500  0.692  0.384  1.0
[/CIF]
.
The material described by Mg6WFe 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 W(1), and two equivalent Fe(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 Fe(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 W(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Fe(1) atoms to form a mixture of distorted corner and face-sharing WMg10Fe2 cuboctahedra. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.684
_cell_length_b   5.850
_cell_length_c   6.188
_cell_angle_alpha   118.208
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.444
_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  0.000  0.802  0.604  1.0
  Mg  Mg1  1  1.000  0.343  0.163  1.0
  Mg  Mg2  1  0.000  0.819  0.163  1.0
  Mg  Mg3  1  0.000  0.326  0.653  1.0
  Mg  Mg4  1  0.500  0.165  0.846  1.0
  Mg  Mg5  1  0.500  0.681  0.846  1.0
  Mg  Mg6  1  0.500  0.171  0.341  1.0
  W  W7  1  0.500  0.692  0.384  1.0
[/CIF]
.