The material described by Mg6NbW 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 Nb(1), and two equivalent W(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 Nb(1) atoms to form distorted MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Mg10W2 cuboctahedra, corners with six equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with two equivalent Nb(1)Mg10W2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10W2 cuboctahedra, and faces with six equivalent W(1)Mg10Nb2 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 Nb(1), and two equivalent W(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. Nb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms to form distorted NbMg10W2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with six equivalent Nb(1)Mg10W2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent W(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10W2 cuboctahedra, and faces with two equivalent W(1)Mg10Nb2 cuboctahedra. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form distorted WMg10Nb2 cuboctahedra that share corners with six equivalent W(1)Mg10Nb2 cuboctahedra, edges with four equivalent Nb(1)Mg10W2 cuboctahedra, faces with two equivalent Nb(1)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Nb2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Nb2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6NbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.809
_cell_length_b   6.041
_cell_length_c   6.252
_cell_angle_alpha   118.892
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.031
_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  0.336  0.153  1.0
  Mg  Mg1  1  1.000  0.817  0.153  1.0
  Mg  Mg2  1  1.000  0.332  0.664  1.0
  Mg  Mg3  1  0.500  0.166  0.847  1.0
  Mg  Mg4  1  0.500  0.681  0.847  1.0
  Mg  Mg5  1  0.500  0.169  0.339  1.0
  Nb  Nb6  1  1.000  0.810  0.620  1.0
  W  W7  1  0.500  0.689  0.377  1.0
[/CIF]
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The material described by Mg6NbW 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 Nb(1), and two equivalent W(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 Nb(1) atoms to form distorted MgMg10Nb2 cuboctahedra that share corners with four equivalent Nb(1)Mg10W2 cuboctahedra, corners with six equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with two equivalent Nb(1)Mg10W2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10W2 cuboctahedra, and faces with six equivalent W(1)Mg10Nb2 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 Nb(1), and two equivalent W(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. Nb(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent W(1) atoms to form distorted NbMg10W2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Nb2 cuboctahedra, corners with six equivalent Nb(1)Mg10W2 cuboctahedra, edges with two equivalent Mg(2)Mg10Nb2 cuboctahedra, edges with four equivalent W(1)Mg10Nb2 cuboctahedra, faces with two equivalent Mg(2)Mg10Nb2 cuboctahedra, faces with two equivalent Nb(1)Mg10W2 cuboctahedra, and faces with two equivalent W(1)Mg10Nb2 cuboctahedra. W(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Nb(1) atoms to form distorted WMg10Nb2 cuboctahedra that share corners with six equivalent W(1)Mg10Nb2 cuboctahedra, edges with four equivalent Nb(1)Mg10W2 cuboctahedra, faces with two equivalent Nb(1)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Nb2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Nb2 cuboctahedra. is represented by the CIF card [CIF]
data_Mg6NbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.809
_cell_length_b   6.041
_cell_length_c   6.252
_cell_angle_alpha   118.892
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.031
_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  0.336  0.153  1.0
  Mg  Mg1  1  1.000  0.817  0.153  1.0
  Mg  Mg2  1  1.000  0.332  0.664  1.0
  Mg  Mg3  1  0.500  0.166  0.847  1.0
  Mg  Mg4  1  0.500  0.681  0.847  1.0
  Mg  Mg5  1  0.500  0.169  0.339  1.0
  Nb  Nb6  1  1.000  0.810  0.620  1.0
  W  W7  1  0.500  0.689  0.377  1.0
[/CIF]
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