The compound described by Ta5Al3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to five equivalent Al(1) atoms. Al(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1) and five equivalent Ta(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta5Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.819
_cell_length_b   7.819
_cell_length_c   5.234
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.119
_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
  Ta  Ta0  1  0.667  0.333  0.500  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  Ta  Ta2  1  0.333  0.667  0.000  1.0
  Ta  Ta3  1  0.667  0.333  0.000  1.0
  Ta  Ta4  1  0.770  0.770  0.250  1.0
  Ta  Ta5  1  0.230  0.000  0.250  1.0
  Ta  Ta6  1  0.000  0.230  0.250  1.0
  Ta  Ta7  1  0.230  0.230  0.750  1.0
  Ta  Ta8  1  0.770  0.000  0.750  1.0
  Ta  Ta9  1  0.000  0.770  0.750  1.0
  Al  Al10  1  0.405  0.405  0.250  1.0
  Al  Al11  1  0.595  0.000  0.250  1.0
  Al  Al12  1  0.000  0.595  0.250  1.0
  Al  Al13  1  0.595  0.595  0.750  1.0
  Al  Al14  1  0.405  0.000  0.750  1.0
  Al  Al15  1  0.000  0.405  0.750  1.0
[/CIF]
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The compound described by Ta5Al3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to five equivalent Al(1) atoms. Al(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1) and five equivalent Ta(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta5Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.819
_cell_length_b   7.819
_cell_length_c   5.234
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   277.119
_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
  Ta  Ta0  1  0.667  0.333  0.500  1.0
  Ta  Ta1  1  0.333  0.667  0.500  1.0
  Ta  Ta2  1  0.333  0.667  0.000  1.0
  Ta  Ta3  1  0.667  0.333  0.000  1.0
  Ta  Ta4  1  0.770  0.770  0.250  1.0
  Ta  Ta5  1  0.230  0.000  0.250  1.0
  Ta  Ta6  1  0.000  0.230  0.250  1.0
  Ta  Ta7  1  0.230  0.230  0.750  1.0
  Ta  Ta8  1  0.770  0.000  0.750  1.0
  Ta  Ta9  1  0.000  0.770  0.750  1.0
  Al  Al10  1  0.405  0.405  0.250  1.0
  Al  Al11  1  0.595  0.000  0.250  1.0
  Al  Al12  1  0.000  0.595  0.250  1.0
  Al  Al13  1  0.595  0.595  0.750  1.0
  Al  Al14  1  0.405  0.000  0.750  1.0
  Al  Al15  1  0.000  0.405  0.750  1.0
[/CIF]
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