The compound described by Tb4(FeB2)3 crystallizes in the trigonal R-3m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to six equivalent Tb(1), six equivalent Tb(2), and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(1) and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Fe(2), and three equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Tb4(FeB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.331
_cell_length_c   7.958
_cell_angle_alpha   70.430
_cell_angle_beta   70.430
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   180.606
_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
  Tb  Tb0  1  0.744  0.744  0.767  1.0
  Tb  Tb1  1  0.256  0.256  0.233  1.0
  Tb  Tb2  1  0.588  0.588  0.237  1.0
  Tb  Tb3  1  0.412  0.412  0.763  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.887  0.887  0.340  1.0
  Fe  Fe6  1  0.113  0.113  0.660  1.0
  B  B7  1  0.500  0.167  0.500  1.0
  B  B8  1  0.833  0.500  0.500  1.0
  B  B9  1  0.167  0.833  0.500  1.0
  B  B10  1  0.167  0.500  0.500  1.0
  B  B11  1  0.833  0.167  0.500  1.0
  B  B12  1  0.500  0.833  0.500  1.0
[/CIF]
.
The compound described by Tb4(FeB2)3 crystallizes in the trigonal R-3m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to three equivalent Fe(1) and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 14-coordinate geometry to six equivalent Tb(1), six equivalent Tb(2), and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Fe(1) and six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), two equivalent Fe(2), and three equivalent B(1) atoms. is represented by the CIF card [CIF]
data_Tb4(FeB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.331
_cell_length_c   7.958
_cell_angle_alpha   70.430
_cell_angle_beta   70.430
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   180.606
_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
  Tb  Tb0  1  0.744  0.744  0.767  1.0
  Tb  Tb1  1  0.256  0.256  0.233  1.0
  Tb  Tb2  1  0.588  0.588  0.237  1.0
  Tb  Tb3  1  0.412  0.412  0.763  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.887  0.887  0.340  1.0
  Fe  Fe6  1  0.113  0.113  0.660  1.0
  B  B7  1  0.500  0.167  0.500  1.0
  B  B8  1  0.833  0.500  0.500  1.0
  B  B9  1  0.167  0.833  0.500  1.0
  B  B10  1  0.167  0.500  0.500  1.0
  B  B11  1  0.833  0.167  0.500  1.0
  B  B12  1  0.500  0.833  0.500  1.0
[/CIF]
.