The crystal structure described by Tb2FeAlO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Tb(1), one Fe(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tb(1), one Fe(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Tb(1), one Fe(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Tb2AlFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.260
_cell_length_c   9.155
_cell_angle_alpha   54.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.547
_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  0.561  0.735  0.750  1.0
  Tb  Tb1  1  0.061  0.265  0.750  1.0
  Tb  Tb2  1  0.439  0.265  0.250  1.0
  Tb  Tb3  1  0.939  0.735  0.250  1.0
  Al  Al4  1  0.500  0.500  0.500  1.0
  Al  Al5  1  0.000  0.500  0.000  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.976  0.837  0.754  1.0
  O  O9  1  0.476  0.163  0.746  1.0
  O  O10  1  0.024  0.163  0.246  1.0
  O  O11  1  0.524  0.837  0.254  1.0
  O  O12  1  0.801  0.250  0.954  1.0
  O  O13  1  0.301  0.750  0.546  1.0
  O  O14  1  0.206  0.351  0.452  1.0
  O  O15  1  0.706  0.649  0.048  1.0
  O  O16  1  0.199  0.750  0.046  1.0
  O  O17  1  0.699  0.250  0.454  1.0
  O  O18  1  0.794  0.649  0.548  1.0
  O  O19  1  0.294  0.351  0.952  1.0
[/CIF]
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The crystal structure described by Tb2FeAlO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Tb(1), one Fe(1), and one Al(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Tb(1), one Fe(1), and one Al(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Tb(1), one Fe(1), and one Al(1) atom. is represented by the CIF card [CIF]
data_Tb2AlFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.451
_cell_length_b   5.260
_cell_length_c   9.155
_cell_angle_alpha   54.825
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.547
_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  0.561  0.735  0.750  1.0
  Tb  Tb1  1  0.061  0.265  0.750  1.0
  Tb  Tb2  1  0.439  0.265  0.250  1.0
  Tb  Tb3  1  0.939  0.735  0.250  1.0
  Al  Al4  1  0.500  0.500  0.500  1.0
  Al  Al5  1  0.000  0.500  0.000  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.976  0.837  0.754  1.0
  O  O9  1  0.476  0.163  0.746  1.0
  O  O10  1  0.024  0.163  0.246  1.0
  O  O11  1  0.524  0.837  0.254  1.0
  O  O12  1  0.801  0.250  0.954  1.0
  O  O13  1  0.301  0.750  0.546  1.0
  O  O14  1  0.206  0.351  0.452  1.0
  O  O15  1  0.706  0.649  0.048  1.0
  O  O16  1  0.199  0.750  0.046  1.0
  O  O17  1  0.699  0.250  0.454  1.0
  O  O18  1  0.794  0.649  0.548  1.0
  O  O19  1  0.294  0.351  0.952  1.0
[/CIF]
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