The material structure described by TbAl4 crystallizes in the orthorhombic Imma space group. Tb(1) is bonded in a 13-coordinate geometry to three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(3) is bonded in a 10-coordinate geometry to three equivalent Tb(1), one Al(1), three equivalent Al(2), and three equivalent Al(3) atoms. In the second Al site, Al(1) is bonded in a 6-coordinate geometry to four equivalent Tb(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the third Al site, Al(2) is bonded in a 13-coordinate geometry to three equivalent Tb(1), four equivalent Al(1), and six equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_TbAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.821
_cell_length_b   7.821
_cell_length_c   7.821
_cell_angle_alpha   147.229
_cell_angle_beta   132.834
_cell_angle_gamma   58.620
_symmetry_Int_Tables_number   1
_cell_volume   188.354
_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  0.637  0.887  0.750  1.0
  Tb  Tb1  1  0.363  0.113  0.250  1.0
  Al  Al2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.863  0.113  0.750  1.0
  Al  Al5  1  0.137  0.887  0.250  1.0
  Al  Al6  1  0.161  0.698  0.463  1.0
  Al  Al7  1  0.839  0.302  0.537  1.0
  Al  Al8  1  0.265  0.302  0.963  1.0
  Al  Al9  1  0.735  0.698  0.037  1.0
[/CIF]
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The material structure described by TbAl4 crystallizes in the orthorhombic Imma space group. Tb(1) is bonded in a 13-coordinate geometry to three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(3) is bonded in a 10-coordinate geometry to three equivalent Tb(1), one Al(1), three equivalent Al(2), and three equivalent Al(3) atoms. In the second Al site, Al(1) is bonded in a 6-coordinate geometry to four equivalent Tb(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the third Al site, Al(2) is bonded in a 13-coordinate geometry to three equivalent Tb(1), four equivalent Al(1), and six equivalent Al(3) atoms. is represented by the CIF card [CIF]
data_TbAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.821
_cell_length_b   7.821
_cell_length_c   7.821
_cell_angle_alpha   147.229
_cell_angle_beta   132.834
_cell_angle_gamma   58.620
_symmetry_Int_Tables_number   1
_cell_volume   188.354
_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  0.637  0.887  0.750  1.0
  Tb  Tb1  1  0.363  0.113  0.250  1.0
  Al  Al2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
  Al  Al4  1  0.863  0.113  0.750  1.0
  Al  Al5  1  0.137  0.887  0.250  1.0
  Al  Al6  1  0.161  0.698  0.463  1.0
  Al  Al7  1  0.839  0.302  0.537  1.0
  Al  Al8  1  0.265  0.302  0.963  1.0
  Al  Al9  1  0.735  0.698  0.037  1.0
[/CIF]
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