The compound described by Tc2Al3 crystallizes in the trigonal P-3m1 space group. Tc(1) is bonded in a 11-coordinate geometry to three equivalent Tc(1), three equivalent Al(1), and five equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a hexagonal planar geometry to six equivalent Tc(1) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to five equivalent Tc(1) and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Al3Tc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.356
_cell_length_b   4.356
_cell_length_c   5.121
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.155
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.667  0.333  0.608  1.0
  Al  Al2  1  0.333  0.667  0.392  1.0
  Tc  Tc3  1  0.667  0.333  0.104  1.0
  Tc  Tc4  1  0.333  0.667  0.896  1.0
[/CIF]
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The compound described by Tc2Al3 crystallizes in the trigonal P-3m1 space group. Tc(1) is bonded in a 11-coordinate geometry to three equivalent Tc(1), three equivalent Al(1), and five equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a hexagonal planar geometry to six equivalent Tc(1) atoms. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to five equivalent Tc(1) and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Al3Tc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.356
_cell_length_b   4.356
_cell_length_c   5.121
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   84.155
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.667  0.333  0.608  1.0
  Al  Al2  1  0.333  0.667  0.392  1.0
  Tc  Tc3  1  0.667  0.333  0.104  1.0
  Tc  Tc4  1  0.333  0.667  0.896  1.0
[/CIF]
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