The crystal structure described by Ho3TbFe8 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 12-coordinate geometry to one Ho(3), three equivalent Ho(2), three equivalent Fe(1), three equivalent Fe(4), and six equivalent Fe(2) atoms. In the second Ho site, Ho(2) is bonded in a 16-coordinate geometry to three equivalent Ho(1), one Tb(1), three equivalent Fe(2), three equivalent Fe(4), and six equivalent Fe(1) atoms. In the third Ho site, Ho(3) is bonded in a 16-coordinate geometry to one Ho(1), three equivalent Tb(1), three equivalent Fe(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. Tb(1) is bonded in a 16-coordinate geometry to one Ho(2), three equivalent Ho(3), three equivalent Fe(2), three equivalent Fe(3), and six equivalent Fe(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Ho(1), one Ho(3), two equivalent Ho(2), two equivalent Tb(1), one Fe(3), one Fe(4), and four equivalent Fe(1) atoms to form FeTb2Ho4Fe6 cuboctahedra that share corners with two equivalent Fe(4)Ho6Fe6 cuboctahedra, corners with two equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, corners with four equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, corners with ten equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with two equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, edges with four equivalent Fe(2)TbHo5Fe6 cuboctahedra, faces with three equivalent Fe(4)Ho6Fe6 cuboctahedra, faces with three equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, faces with four equivalent Fe(2)TbHo5Fe6 cuboctahedra, and faces with eight equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Ho(2), two equivalent Ho(1), two equivalent Ho(3), one Tb(1), one Fe(3), one Fe(4), and four equivalent Fe(2) atoms to form FeTbHo5Fe6 cuboctahedra that share corners with two equivalent Fe(4)Ho6Fe6 cuboctahedra, corners with two equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, corners with four equivalent Fe(2)TbHo5Fe6 cuboctahedra, corners with ten equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, edges with two equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with four equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, faces with three equivalent Fe(4)Ho6Fe6 cuboctahedra, faces with three equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, faces with four equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, and faces with eight equivalent Fe(2)TbHo5Fe6 cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Ho(3), three equivalent Tb(1), three equivalent Fe(1), and three equivalent Fe(2) atoms to form FeTb3Ho3Fe6 cuboctahedra that share corners with six equivalent Fe(4)Ho6Fe6 cuboctahedra, corners with six equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, corners with six equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with six equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, faces with nine equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, and faces with nine equivalent Fe(2)TbHo5Fe6 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to three equivalent Ho(1), three equivalent Ho(2), three equivalent Fe(1), and three equivalent Fe(2) atoms to form FeHo6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, corners with six equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, corners with six equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with six equivalent Fe(4)Ho6Fe6 cuboctahedra, faces with nine equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, and faces with nine equivalent Fe(2)TbHo5Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_TbHo3Fe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.109
_cell_length_c   8.840
_cell_angle_alpha   73.203
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.381
_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  0.875  0.750  0.375  1.0
  Ho  Ho1  1  0.375  0.750  0.875  1.0
  Ho  Ho2  1  0.000  0.000  0.999  1.0
  Ho  Ho3  1  0.500  1.000  0.500  1.0
  Fe  Fe4  1  0.438  0.376  0.186  1.0
  Fe  Fe5  1  0.938  0.374  0.688  1.0
  Fe  Fe6  1  0.438  0.875  0.186  1.0
  Fe  Fe7  1  0.938  0.875  0.688  1.0
  Fe  Fe8  1  0.187  0.375  0.438  1.0
  Fe  Fe9  1  0.688  0.375  0.937  1.0
  Fe  Fe10  1  0.938  0.376  0.186  1.0
  Fe  Fe11  1  0.436  0.374  0.688  1.0
[/CIF]
.
The crystal structure described by Ho3TbFe8 is Cubic Laves-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 12-coordinate geometry to one Ho(3), three equivalent Ho(2), three equivalent Fe(1), three equivalent Fe(4), and six equivalent Fe(2) atoms. In the second Ho site, Ho(2) is bonded in a 16-coordinate geometry to three equivalent Ho(1), one Tb(1), three equivalent Fe(2), three equivalent Fe(4), and six equivalent Fe(1) atoms. In the third Ho site, Ho(3) is bonded in a 16-coordinate geometry to one Ho(1), three equivalent Tb(1), three equivalent Fe(1), three equivalent Fe(3), and six equivalent Fe(2) atoms. Tb(1) is bonded in a 16-coordinate geometry to one Ho(2), three equivalent Ho(3), three equivalent Fe(2), three equivalent Fe(3), and six equivalent Fe(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Ho(1), one Ho(3), two equivalent Ho(2), two equivalent Tb(1), one Fe(3), one Fe(4), and four equivalent Fe(1) atoms to form FeTb2Ho4Fe6 cuboctahedra that share corners with two equivalent Fe(4)Ho6Fe6 cuboctahedra, corners with two equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, corners with four equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, corners with ten equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with two equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, edges with four equivalent Fe(2)TbHo5Fe6 cuboctahedra, faces with three equivalent Fe(4)Ho6Fe6 cuboctahedra, faces with three equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, faces with four equivalent Fe(2)TbHo5Fe6 cuboctahedra, and faces with eight equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Ho(2), two equivalent Ho(1), two equivalent Ho(3), one Tb(1), one Fe(3), one Fe(4), and four equivalent Fe(2) atoms to form FeTbHo5Fe6 cuboctahedra that share corners with two equivalent Fe(4)Ho6Fe6 cuboctahedra, corners with two equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, corners with four equivalent Fe(2)TbHo5Fe6 cuboctahedra, corners with ten equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, edges with two equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with four equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, faces with three equivalent Fe(4)Ho6Fe6 cuboctahedra, faces with three equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, faces with four equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, and faces with eight equivalent Fe(2)TbHo5Fe6 cuboctahedra. In the third Fe site, Fe(3) is bonded to three equivalent Ho(3), three equivalent Tb(1), three equivalent Fe(1), and three equivalent Fe(2) atoms to form FeTb3Ho3Fe6 cuboctahedra that share corners with six equivalent Fe(4)Ho6Fe6 cuboctahedra, corners with six equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, corners with six equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with six equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, faces with nine equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, and faces with nine equivalent Fe(2)TbHo5Fe6 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to three equivalent Ho(1), three equivalent Ho(2), three equivalent Fe(1), and three equivalent Fe(2) atoms to form FeHo6Fe6 cuboctahedra that share corners with six equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, corners with six equivalent Fe(3)Tb3Ho3Fe6 cuboctahedra, corners with six equivalent Fe(2)TbHo5Fe6 cuboctahedra, edges with six equivalent Fe(4)Ho6Fe6 cuboctahedra, faces with nine equivalent Fe(1)Tb2Ho4Fe6 cuboctahedra, and faces with nine equivalent Fe(2)TbHo5Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_TbHo3Fe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.109
_cell_length_b   5.109
_cell_length_c   8.840
_cell_angle_alpha   73.203
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.381
_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  0.875  0.750  0.375  1.0
  Ho  Ho1  1  0.375  0.750  0.875  1.0
  Ho  Ho2  1  0.000  0.000  0.999  1.0
  Ho  Ho3  1  0.500  1.000  0.500  1.0
  Fe  Fe4  1  0.438  0.376  0.186  1.0
  Fe  Fe5  1  0.938  0.374  0.688  1.0
  Fe  Fe6  1  0.438  0.875  0.186  1.0
  Fe  Fe7  1  0.938  0.875  0.688  1.0
  Fe  Fe8  1  0.187  0.375  0.438  1.0
  Fe  Fe9  1  0.688  0.375  0.937  1.0
  Fe  Fe10  1  0.938  0.376  0.186  1.0
  Fe  Fe11  1  0.436  0.374  0.688  1.0
[/CIF]
.