The material described by Ta17Al12 is alpha-derived structured and crystallizes in the cubic I-43m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(2) and twelve equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to one Ta(1), three equivalent Ta(3), and nine equivalent Al(1) atoms. In the third Ta site, Ta(3) is bonded in a 12-coordinate geometry to one Ta(2), six equivalent Ta(3), and five equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to one Ta(1), three equivalent Ta(2), five equivalent Ta(3), and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.645
_cell_length_b   8.645
_cell_length_c   8.645
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   497.301
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.645  0.000  0.000  1.0
  Ta  Ta2  1  0.000  0.645  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.645  1.0
  Ta  Ta4  1  0.355  0.355  0.355  1.0
  Ta  Ta5  1  0.407  0.678  0.000  1.0
  Ta  Ta6  1  0.729  0.322  0.322  1.0
  Ta  Ta7  1  0.407  0.000  0.678  1.0
  Ta  Ta8  1  0.678  0.407  0.000  1.0
  Ta  Ta9  1  0.000  0.407  0.678  1.0
  Ta  Ta10  1  0.322  0.729  0.322  1.0
  Ta  Ta11  1  0.322  0.322  0.729  1.0
  Ta  Ta12  1  0.000  0.678  0.407  1.0
  Ta  Ta13  1  0.678  0.000  0.407  1.0
  Ta  Ta14  1  0.593  0.593  0.271  1.0
  Ta  Ta15  1  0.271  0.593  0.593  1.0
  Ta  Ta16  1  0.593  0.271  0.593  1.0
  Al  Al17  1  0.368  0.186  0.000  1.0
  Al  Al18  1  0.181  0.814  0.814  1.0
  Al  Al19  1  0.368  0.000  0.186  1.0
  Al  Al20  1  0.186  0.368  0.000  1.0
  Al  Al21  1  0.000  0.368  0.186  1.0
  Al  Al22  1  0.814  0.181  0.814  1.0
  Al  Al23  1  0.814  0.814  0.181  1.0
  Al  Al24  1  0.000  0.186  0.368  1.0
  Al  Al25  1  0.186  0.000  0.368  1.0
  Al  Al26  1  0.632  0.632  0.819  1.0
  Al  Al27  1  0.819  0.632  0.632  1.0
  Al  Al28  1  0.632  0.819  0.632  1.0
[/CIF]
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The material described by Ta17Al12 is alpha-derived structured and crystallizes in the cubic I-43m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(2) and twelve equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 13-coordinate geometry to one Ta(1), three equivalent Ta(3), and nine equivalent Al(1) atoms. In the third Ta site, Ta(3) is bonded in a 12-coordinate geometry to one Ta(2), six equivalent Ta(3), and five equivalent Al(1) atoms. Al(1) is bonded in a 12-coordinate geometry to one Ta(1), three equivalent Ta(2), five equivalent Ta(3), and three equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.645
_cell_length_b   8.645
_cell_length_c   8.645
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   497.301
_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
  Ta  Ta0  1  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.645  0.000  0.000  1.0
  Ta  Ta2  1  0.000  0.645  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.645  1.0
  Ta  Ta4  1  0.355  0.355  0.355  1.0
  Ta  Ta5  1  0.407  0.678  0.000  1.0
  Ta  Ta6  1  0.729  0.322  0.322  1.0
  Ta  Ta7  1  0.407  0.000  0.678  1.0
  Ta  Ta8  1  0.678  0.407  0.000  1.0
  Ta  Ta9  1  0.000  0.407  0.678  1.0
  Ta  Ta10  1  0.322  0.729  0.322  1.0
  Ta  Ta11  1  0.322  0.322  0.729  1.0
  Ta  Ta12  1  0.000  0.678  0.407  1.0
  Ta  Ta13  1  0.678  0.000  0.407  1.0
  Ta  Ta14  1  0.593  0.593  0.271  1.0
  Ta  Ta15  1  0.271  0.593  0.593  1.0
  Ta  Ta16  1  0.593  0.271  0.593  1.0
  Al  Al17  1  0.368  0.186  0.000  1.0
  Al  Al18  1  0.181  0.814  0.814  1.0
  Al  Al19  1  0.368  0.000  0.186  1.0
  Al  Al20  1  0.186  0.368  0.000  1.0
  Al  Al21  1  0.000  0.368  0.186  1.0
  Al  Al22  1  0.814  0.181  0.814  1.0
  Al  Al23  1  0.814  0.814  0.181  1.0
  Al  Al24  1  0.000  0.186  0.368  1.0
  Al  Al25  1  0.186  0.000  0.368  1.0
  Al  Al26  1  0.632  0.632  0.819  1.0
  Al  Al27  1  0.819  0.632  0.632  1.0
  Al  Al28  1  0.632  0.819  0.632  1.0
[/CIF]
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