The compound described by Mg6WSn 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 Sn(1) atoms. 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 Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10W2 cuboctahedra, corners with six equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with two equivalent Sn(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, faces with two equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with six equivalent W(1)Mg10Sn2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent W(1), and two equivalent Sn(1) atoms to form distorted MgMg4Sn2W2 cuboctahedra that share corners with two equivalent Sn(1)Mg10W2 cuboctahedra, corners with four equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with four equivalent W(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with two equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with two equivalent W(1)Mg10Sn2 cuboctahedra, edges with two equivalent Sn(1)Mg10W2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), 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 Sn(1) atoms to form WMg10Sn2 cuboctahedra that share corners with six equivalent W(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with four equivalent Sn(1)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms to form SnMg10W2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, corners with six equivalent Sn(1)Mg10W2 cuboctahedra, edges with two equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with four equivalent W(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent W(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   6.146
_cell_length_c   6.146
_cell_angle_alpha   119.263
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.878
_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
  Mg  Mg0  1  1.000  0.653  0.825  1.0
  Mg  Mg1  1  0.000  0.175  0.347  1.0
  Mg  Mg2  1  0.000  0.666  0.334  1.0
  Mg  Mg3  1  0.500  0.828  0.664  1.0
  Mg  Mg4  1  0.500  0.336  0.172  1.0
  Mg  Mg5  1  0.500  0.834  0.166  1.0
  Sn  Sn6  1  0.000  0.175  0.825  1.0
  W  W7  1  0.500  0.333  0.667  1.0
[/CIF]
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The compound described by Mg6WSn 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 Sn(1) atoms. 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 Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Sn(1)Mg10W2 cuboctahedra, corners with six equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with two equivalent Sn(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, faces with two equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with six equivalent W(1)Mg10Sn2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent W(1), and two equivalent Sn(1) atoms to form distorted MgMg4Sn2W2 cuboctahedra that share corners with two equivalent Sn(1)Mg10W2 cuboctahedra, corners with four equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with four equivalent W(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with two equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with two equivalent W(1)Mg10Sn2 cuboctahedra, edges with two equivalent Sn(1)Mg10W2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded in a distorted linear geometry to two equivalent Mg(2), four equivalent Mg(1), 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 Sn(1) atoms to form WMg10Sn2 cuboctahedra that share corners with six equivalent W(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with four equivalent Sn(1)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Sn2 cuboctahedra. Sn(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms to form SnMg10W2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, corners with six equivalent Sn(1)Mg10W2 cuboctahedra, edges with two equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra, edges with four equivalent W(1)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent W(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(3)Mg4Sn2W2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   6.146
_cell_length_c   6.146
_cell_angle_alpha   119.263
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.878
_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
  Mg  Mg0  1  1.000  0.653  0.825  1.0
  Mg  Mg1  1  0.000  0.175  0.347  1.0
  Mg  Mg2  1  0.000  0.666  0.334  1.0
  Mg  Mg3  1  0.500  0.828  0.664  1.0
  Mg  Mg4  1  0.500  0.336  0.172  1.0
  Mg  Mg5  1  0.500  0.834  0.166  1.0
  Sn  Sn6  1  0.000  0.175  0.825  1.0
  W  W7  1  0.500  0.333  0.667  1.0
[/CIF]
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