The crystal structure described by Tb is alpha La-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are five inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the second Tb site, Tb(2) is bonded to six Tb(1,1) and six equivalent Tb(2) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the third Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the fourth Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the fifth Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. is represented by the CIF file [CIF]
data_Tb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.594
_cell_length_b   3.594
_cell_length_c   17.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   195.065
_cell_formula_units_Z   6
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  0.667  0.333  0.917  1.0
  Tb  Tb1  1  0.000  0.000  0.250  1.0
  Tb  Tb2  1  0.667  0.333  0.583  1.0
  Tb  Tb3  1  0.333  0.667  0.417  1.0
  Tb  Tb4  1  0.000  0.000  0.750  1.0
  Tb  Tb5  1  0.333  0.667  0.083  1.0
[/CIF]
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The crystal structure described by Tb is alpha La-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are five inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the second Tb site, Tb(2) is bonded to six Tb(1,1) and six equivalent Tb(2) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the third Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the fourth Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. In the fifth Tb site, Tb(1) is bonded to three equivalent Tb(2) and nine Tb(1,1) atoms to form a mixture of edge, face, and corner-sharing TbTb12 cuboctahedra. is represented by the CIF file [CIF]
data_Tb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.594
_cell_length_b   3.594
_cell_length_c   17.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   195.065
_cell_formula_units_Z   6
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  0.667  0.333  0.917  1.0
  Tb  Tb1  1  0.000  0.000  0.250  1.0
  Tb  Tb2  1  0.667  0.333  0.583  1.0
  Tb  Tb3  1  0.333  0.667  0.417  1.0
  Tb  Tb4  1  0.000  0.000  0.750  1.0
  Tb  Tb5  1  0.333  0.667  0.083  1.0
[/CIF]
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