The compound described by Mg3Th crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Th(1) atoms to form distorted MgTh4Mg8 cuboctahedra that share corners with four equivalent Th(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(1)Th4Mg8 cuboctahedra, edges with six equivalent Th(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(1)Th4Mg8 cuboctahedra, faces with four equivalent Th(1)Mg12 cuboctahedra, and faces with sixteen equivalent Mg(1)Th4Mg8 cuboctahedra. Th(1) is bonded to twelve equivalent Mg(1) atoms to form ThMg12 cuboctahedra that share corners with six equivalent Th(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Th4Mg8 cuboctahedra, edges with eighteen equivalent Mg(1)Th4Mg8 cuboctahedra, faces with eight equivalent Th(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Th4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_ThMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.763
_cell_length_b   6.763
_cell_length_c   5.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   206.518
_cell_formula_units_Z   2
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
  Th  Th0  1  0.667  0.333  0.250  1.0
  Th  Th1  1  0.333  0.667  0.750  1.0
  Mg  Mg2  1  0.161  0.322  0.250  1.0
  Mg  Mg3  1  0.161  0.839  0.250  1.0
  Mg  Mg4  1  0.678  0.839  0.250  1.0
  Mg  Mg5  1  0.322  0.161  0.750  1.0
  Mg  Mg6  1  0.839  0.161  0.750  1.0
  Mg  Mg7  1  0.839  0.678  0.750  1.0
[/CIF]
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The compound described by Mg3Th crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Th(1) atoms to form distorted MgTh4Mg8 cuboctahedra that share corners with four equivalent Th(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(1)Th4Mg8 cuboctahedra, edges with six equivalent Th(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(1)Th4Mg8 cuboctahedra, faces with four equivalent Th(1)Mg12 cuboctahedra, and faces with sixteen equivalent Mg(1)Th4Mg8 cuboctahedra. Th(1) is bonded to twelve equivalent Mg(1) atoms to form ThMg12 cuboctahedra that share corners with six equivalent Th(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Th4Mg8 cuboctahedra, edges with eighteen equivalent Mg(1)Th4Mg8 cuboctahedra, faces with eight equivalent Th(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Th4Mg8 cuboctahedra. is represented by the CIF file [CIF]
data_ThMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.763
_cell_length_b   6.763
_cell_length_c   5.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   206.518
_cell_formula_units_Z   2
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
  Th  Th0  1  0.667  0.333  0.250  1.0
  Th  Th1  1  0.333  0.667  0.750  1.0
  Mg  Mg2  1  0.161  0.322  0.250  1.0
  Mg  Mg3  1  0.161  0.839  0.250  1.0
  Mg  Mg4  1  0.678  0.839  0.250  1.0
  Mg  Mg5  1  0.322  0.161  0.750  1.0
  Mg  Mg6  1  0.839  0.161  0.750  1.0
  Mg  Mg7  1  0.839  0.678  0.750  1.0
[/CIF]
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