The structure described by TbNi4Al crystallizes in the orthorhombic Cmmm space group. Tb(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), eight equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Tb(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Al(1) atoms to form distorted NiTb4Al2Ni6 cuboctahedra that share corners with four equivalent Al(1)Tb4Ni8 cuboctahedra, corners with twelve equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with four equivalent Al(1)Tb4Ni8 cuboctahedra, edges with six equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, faces with four equivalent Al(1)Tb4Ni8 cuboctahedra, and faces with six equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. Al(1) is bonded to four equivalent Tb(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted AlTb4Ni8 cuboctahedra that share corners with eight equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, corners with eight equivalent Al(1)Tb4Ni8 cuboctahedra, edges with two equivalent Al(1)Tb4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, faces with two equivalent Al(1)Tb4Ni8 cuboctahedra, and faces with eight equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_TbAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.863
_cell_length_c   3.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.485
_symmetry_Int_Tables_number   1
_cell_volume   82.767
_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  0.500  0.500  0.000  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.168  0.832  0.000  1.0
  Ni  Ni3  1  0.832  0.168  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
[/CIF]
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The structure described by TbNi4Al crystallizes in the orthorhombic Cmmm space group. Tb(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), eight equivalent Ni(2), and four equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Tb(1), four equivalent Ni(2), and two equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Tb(1), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Al(1) atoms to form distorted NiTb4Al2Ni6 cuboctahedra that share corners with four equivalent Al(1)Tb4Ni8 cuboctahedra, corners with twelve equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, edges with four equivalent Al(1)Tb4Ni8 cuboctahedra, edges with six equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, faces with four equivalent Al(1)Tb4Ni8 cuboctahedra, and faces with six equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. Al(1) is bonded to four equivalent Tb(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted AlTb4Ni8 cuboctahedra that share corners with eight equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, corners with eight equivalent Al(1)Tb4Ni8 cuboctahedra, edges with two equivalent Al(1)Tb4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Tb4Al2Ni6 cuboctahedra, faces with two equivalent Al(1)Tb4Ni8 cuboctahedra, and faces with eight equivalent Ni(2)Tb4Al2Ni6 cuboctahedra. is represented by the CIF card [CIF]
data_TbAlNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.863
_cell_length_c   3.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.485
_symmetry_Int_Tables_number   1
_cell_volume   82.767
_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  0.500  0.500  0.000  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Ni  Ni2  1  0.168  0.832  0.000  1.0
  Ni  Ni3  1  0.832  0.168  0.000  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
[/CIF]
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