The material described by Mg6WAl 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 W(1), and one Al(1) atom. 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 Al(1) atoms to form distorted MgMg10Al2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Al2 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with six equivalent W(1)Mg10Al2 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 W(1), and two equivalent Al(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), 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 Al(1) atoms to form WMg10Al2 cuboctahedra that share corners with six equivalent W(1)Mg10Al2 cuboctahedra, faces with two equivalent W(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Al2 cuboctahedra. Al(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.823
_cell_length_b   6.119
_cell_length_c   6.153
_cell_angle_alpha   119.816
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.551
_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
  Al  Al0  1  0.000  0.812  0.625  1.0
  Mg  Mg1  1  0.000  0.349  0.173  1.0
  Mg  Mg2  1  1.000  0.825  0.173  1.0
  Mg  Mg3  1  0.000  0.333  0.666  1.0
  Mg  Mg4  1  0.500  0.165  0.837  1.0
  Mg  Mg5  1  0.500  0.673  0.837  1.0
  Mg  Mg6  1  0.500  0.167  0.334  1.0
  W  W7  1  0.500  0.677  0.355  1.0
[/CIF]
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The material described by Mg6WAl 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 W(1), and one Al(1) atom. 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 Al(1) atoms to form distorted MgMg10Al2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Al2 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with six equivalent W(1)Mg10Al2 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 W(1), and two equivalent Al(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), 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 Al(1) atoms to form WMg10Al2 cuboctahedra that share corners with six equivalent W(1)Mg10Al2 cuboctahedra, faces with two equivalent W(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Al2 cuboctahedra. Al(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.823
_cell_length_b   6.119
_cell_length_c   6.153
_cell_angle_alpha   119.816
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.551
_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
  Al  Al0  1  0.000  0.812  0.625  1.0
  Mg  Mg1  1  0.000  0.349  0.173  1.0
  Mg  Mg2  1  1.000  0.825  0.173  1.0
  Mg  Mg3  1  0.000  0.333  0.666  1.0
  Mg  Mg4  1  0.500  0.165  0.837  1.0
  Mg  Mg5  1  0.500  0.673  0.837  1.0
  Mg  Mg6  1  0.500  0.167  0.334  1.0
  W  W7  1  0.500  0.677  0.355  1.0
[/CIF]
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