The crystal structure described by Tb5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TbNi4Bi2 octahedra that share corners with six equivalent Tb(1)Ni4Bi2 octahedra, corners with sixteen equivalent Tb(2)Ni3Bi2 square pyramids, and faces with eight equivalent Tb(2)Ni3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-50°. In the second Tb site, Tb(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TbNi3Bi2 square pyramids that share corners with four equivalent Tb(1)Ni4Bi2 octahedra, corners with twelve equivalent Tb(2)Ni3Bi2 square pyramids, edges with seven equivalent Tb(2)Ni3Bi2 square pyramids, faces with two equivalent Tb(1)Ni4Bi2 octahedra, and  a faceface with one Tb(2)Ni3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1) and six equivalent Tb(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Tb(1) and eight equivalent Tb(2) atoms. is represented by the CIF card [CIF]
data_Tb5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.725
_cell_length_b   8.725
_cell_length_c   8.725
_cell_angle_alpha   127.542
_cell_angle_beta   127.542
_cell_angle_gamma   77.368
_symmetry_Int_Tables_number   1
_cell_volume   405.154
_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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.000  1.0
  Tb  Tb2  1  0.790  0.290  0.813  1.0
  Tb  Tb3  1  0.210  0.710  0.187  1.0
  Tb  Tb4  1  0.477  0.977  0.187  1.0
  Tb  Tb5  1  0.290  0.477  0.500  1.0
  Tb  Tb6  1  0.023  0.210  0.500  1.0
  Tb  Tb7  1  0.523  0.023  0.813  1.0
  Tb  Tb8  1  0.710  0.523  0.500  1.0
  Tb  Tb9  1  0.977  0.790  0.500  1.0
  Ni  Ni10  1  0.133  0.633  0.766  1.0
  Ni  Ni11  1  0.867  0.367  0.234  1.0
  Ni  Ni12  1  0.633  0.867  0.500  1.0
  Ni  Ni13  1  0.367  0.133  0.500  1.0
  Bi  Bi14  1  0.250  0.250  0.000  1.0
  Bi  Bi15  1  0.750  0.750  0.000  1.0
[/CIF]
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The crystal structure described by Tb5Ni2Bi crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TbNi4Bi2 octahedra that share corners with six equivalent Tb(1)Ni4Bi2 octahedra, corners with sixteen equivalent Tb(2)Ni3Bi2 square pyramids, and faces with eight equivalent Tb(2)Ni3Bi2 square pyramids. The corner-sharing octahedral tilt angles range from 0-50°. In the second Tb site, Tb(2) is bonded to three equivalent Ni(1) and two equivalent Bi(1) atoms to form distorted TbNi3Bi2 square pyramids that share corners with four equivalent Tb(1)Ni4Bi2 octahedra, corners with twelve equivalent Tb(2)Ni3Bi2 square pyramids, edges with seven equivalent Tb(2)Ni3Bi2 square pyramids, faces with two equivalent Tb(1)Ni4Bi2 octahedra, and  a faceface with one Tb(2)Ni3Bi2 square pyramid. The corner-sharing octahedral tilt angles range from 42-61°. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1) and six equivalent Tb(2) atoms. Bi(1) is bonded in a distorted q6 geometry to two equivalent Tb(1) and eight equivalent Tb(2) atoms. is represented by the CIF card [CIF]
data_Tb5Ni2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.725
_cell_length_b   8.725
_cell_length_c   8.725
_cell_angle_alpha   127.542
_cell_angle_beta   127.542
_cell_angle_gamma   77.368
_symmetry_Int_Tables_number   1
_cell_volume   405.154
_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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.500  0.500  0.000  1.0
  Tb  Tb2  1  0.790  0.290  0.813  1.0
  Tb  Tb3  1  0.210  0.710  0.187  1.0
  Tb  Tb4  1  0.477  0.977  0.187  1.0
  Tb  Tb5  1  0.290  0.477  0.500  1.0
  Tb  Tb6  1  0.023  0.210  0.500  1.0
  Tb  Tb7  1  0.523  0.023  0.813  1.0
  Tb  Tb8  1  0.710  0.523  0.500  1.0
  Tb  Tb9  1  0.977  0.790  0.500  1.0
  Ni  Ni10  1  0.133  0.633  0.766  1.0
  Ni  Ni11  1  0.867  0.367  0.234  1.0
  Ni  Ni12  1  0.633  0.867  0.500  1.0
  Ni  Ni13  1  0.367  0.133  0.500  1.0
  Bi  Bi14  1  0.250  0.250  0.000  1.0
  Bi  Bi15  1  0.750  0.750  0.000  1.0
[/CIF]
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