The material described by ThMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent Th(1), three equivalent Mn(1), and nine equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Th(1) and six equivalent Mn(2) atoms to form a mixture of corner, face, and edge-sharing MnTh6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Th(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of corner, face, and edge-sharing MnTh6Mn6 cuboctahedra. is represented by the CIF file [CIF]
data_ThMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.343
_cell_length_c   8.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   209.369
_cell_formula_units_Z   4
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  0.333  0.667  0.439  1.0
  Th  Th1  1  0.667  0.333  0.561  1.0
  Th  Th2  1  0.667  0.333  0.939  1.0
  Th  Th3  1  0.333  0.667  0.061  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.840  0.160  0.250  1.0
  Mn  Mn7  1  0.840  0.680  0.250  1.0
  Mn  Mn8  1  0.320  0.160  0.250  1.0
  Mn  Mn9  1  0.160  0.840  0.750  1.0
  Mn  Mn10  1  0.160  0.320  0.750  1.0
  Mn  Mn11  1  0.680  0.840  0.750  1.0
[/CIF]
.
The material described by ThMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded in a 16-coordinate geometry to four equivalent Th(1), three equivalent Mn(1), and nine equivalent Mn(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent Th(1) and six equivalent Mn(2) atoms to form a mixture of corner, face, and edge-sharing MnTh6Mn6 cuboctahedra. In the second Mn site, Mn(2) is bonded to six equivalent Th(1), two equivalent Mn(1), and four equivalent Mn(2) atoms to form a mixture of corner, face, and edge-sharing MnTh6Mn6 cuboctahedra. is represented by the CIF file [CIF]
data_ThMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.343
_cell_length_c   8.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   209.369
_cell_formula_units_Z   4
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  0.333  0.667  0.439  1.0
  Th  Th1  1  0.667  0.333  0.561  1.0
  Th  Th2  1  0.667  0.333  0.939  1.0
  Th  Th3  1  0.333  0.667  0.061  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.840  0.160  0.250  1.0
  Mn  Mn7  1  0.840  0.680  0.250  1.0
  Mn  Mn8  1  0.320  0.160  0.250  1.0
  Mn  Mn9  1  0.160  0.840  0.750  1.0
  Mn  Mn10  1  0.160  0.320  0.750  1.0
  Mn  Mn11  1  0.680  0.840  0.750  1.0
[/CIF]
.