The material described by Tb3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to eight Tb(1,1) and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Tb12 cuboctahedra; corners with fourteen equivalent Tb(1)Tb8Nd4 cuboctahedra; edges with six equivalent Nd(1)Tb12 cuboctahedra; edges with twelve Tb(1,1)Tb8Nd4 cuboctahedra; faces with four equivalent Nd(1)Tb12 cuboctahedra; and faces with sixteen Tb(1,1)Tb8Nd4 cuboctahedra. In the second Tb site, Tb(1) is bonded to eight equivalent Tb(1) and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Tb12 cuboctahedra; corners with fourteen Tb(1,1)Tb8Nd4 cuboctahedra; edges with six equivalent Nd(1)Tb12 cuboctahedra; edges with twelve equivalent Tb(1)Tb8Nd4 cuboctahedra; faces with four equivalent Nd(1)Tb12 cuboctahedra; and faces with sixteen Tb(1,1)Tb8Nd4 cuboctahedra. Nd(1) is bonded to twelve Tb(1,1) atoms to form NdTb12 cuboctahedra that share corners with six equivalent Nd(1)Tb12 cuboctahedra; corners with twelve equivalent Tb(1)Tb8Nd4 cuboctahedra; edges with eighteen Tb(1,1)Tb8Nd4 cuboctahedra; faces with eight equivalent Nd(1)Tb12 cuboctahedra; and faces with twelve Tb(1,1)Tb8Nd4 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   7.326
_cell_length_c   5.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   271.891
_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
  Tb  Tb0  1  0.671  0.835  0.250  1.0
  Tb  Tb1  1  0.165  0.329  0.250  1.0
  Tb  Tb2  1  0.836  0.165  0.750  1.0
  Tb  Tb3  1  0.329  0.165  0.750  1.0
  Tb  Tb4  1  0.836  0.671  0.750  1.0
  Tb  Tb5  1  0.165  0.836  0.250  1.0
  Nd  Nd6  1  0.667  0.333  0.250  1.0
  Nd  Nd7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by Tb3Nd is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to eight Tb(1,1) and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Tb12 cuboctahedra; corners with fourteen equivalent Tb(1)Tb8Nd4 cuboctahedra; edges with six equivalent Nd(1)Tb12 cuboctahedra; edges with twelve Tb(1,1)Tb8Nd4 cuboctahedra; faces with four equivalent Nd(1)Tb12 cuboctahedra; and faces with sixteen Tb(1,1)Tb8Nd4 cuboctahedra. In the second Tb site, Tb(1) is bonded to eight equivalent Tb(1) and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent Nd(1)Tb12 cuboctahedra; corners with fourteen Tb(1,1)Tb8Nd4 cuboctahedra; edges with six equivalent Nd(1)Tb12 cuboctahedra; edges with twelve equivalent Tb(1)Tb8Nd4 cuboctahedra; faces with four equivalent Nd(1)Tb12 cuboctahedra; and faces with sixteen Tb(1,1)Tb8Nd4 cuboctahedra. Nd(1) is bonded to twelve Tb(1,1) atoms to form NdTb12 cuboctahedra that share corners with six equivalent Nd(1)Tb12 cuboctahedra; corners with twelve equivalent Tb(1)Tb8Nd4 cuboctahedra; edges with eighteen Tb(1,1)Tb8Nd4 cuboctahedra; faces with eight equivalent Nd(1)Tb12 cuboctahedra; and faces with twelve Tb(1,1)Tb8Nd4 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   7.326
_cell_length_c   5.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   271.891
_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
  Tb  Tb0  1  0.671  0.835  0.250  1.0
  Tb  Tb1  1  0.165  0.329  0.250  1.0
  Tb  Tb2  1  0.836  0.165  0.750  1.0
  Tb  Tb3  1  0.329  0.165  0.750  1.0
  Tb  Tb4  1  0.836  0.671  0.750  1.0
  Tb  Tb5  1  0.165  0.836  0.250  1.0
  Nd  Nd6  1  0.667  0.333  0.250  1.0
  Nd  Nd7  1  0.333  0.667  0.750  1.0
[/CIF]
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