The structure described by Ta10Al6B crystallizes in the trigonal P-31m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(2) and six equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Al(1) atoms. In the third Ta site, Ta(3) is bonded in a distorted single-bond geometry to five equivalent Al(1) and one B(1) atom. Al(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), and five equivalent Ta(3) atoms. B(1) is bonded in an octahedral geometry to six equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta10Al6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.842
_cell_length_b   7.842
_cell_length_c   5.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.839
_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  0.333  0.667  0.500  1.0
  Ta  Ta1  1  0.667  0.333  0.500  1.0
  Ta  Ta2  1  0.667  0.333  0.000  1.0
  Ta  Ta3  1  0.333  0.667  0.000  1.0
  Ta  Ta4  1  0.000  0.761  0.242  1.0
  Ta  Ta5  1  0.239  0.239  0.242  1.0
  Ta  Ta6  1  0.761  0.000  0.242  1.0
  Ta  Ta7  1  0.000  0.239  0.758  1.0
  Ta  Ta8  1  0.761  0.761  0.758  1.0
  Ta  Ta9  1  0.239  0.000  0.758  1.0
  Al  Al10  1  0.000  0.401  0.252  1.0
  Al  Al11  1  0.599  0.599  0.252  1.0
  Al  Al12  1  0.401  0.000  0.252  1.0
  Al  Al13  1  0.000  0.599  0.748  1.0
  Al  Al14  1  0.401  0.401  0.748  1.0
  Al  Al15  1  0.599  0.000  0.748  1.0
  B  B16  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by Ta10Al6B crystallizes in the trigonal P-31m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Ta(2) and six equivalent Al(1) atoms. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1) and six equivalent Al(1) atoms. In the third Ta site, Ta(3) is bonded in a distorted single-bond geometry to five equivalent Al(1) and one B(1) atom. Al(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), and five equivalent Ta(3) atoms. B(1) is bonded in an octahedral geometry to six equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta10Al6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.842
_cell_length_b   7.842
_cell_length_c   5.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   281.839
_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  0.333  0.667  0.500  1.0
  Ta  Ta1  1  0.667  0.333  0.500  1.0
  Ta  Ta2  1  0.667  0.333  0.000  1.0
  Ta  Ta3  1  0.333  0.667  0.000  1.0
  Ta  Ta4  1  0.000  0.761  0.242  1.0
  Ta  Ta5  1  0.239  0.239  0.242  1.0
  Ta  Ta6  1  0.761  0.000  0.242  1.0
  Ta  Ta7  1  0.000  0.239  0.758  1.0
  Ta  Ta8  1  0.761  0.761  0.758  1.0
  Ta  Ta9  1  0.239  0.000  0.758  1.0
  Al  Al10  1  0.000  0.401  0.252  1.0
  Al  Al11  1  0.599  0.599  0.252  1.0
  Al  Al12  1  0.401  0.000  0.252  1.0
  Al  Al13  1  0.000  0.599  0.748  1.0
  Al  Al14  1  0.401  0.401  0.748  1.0
  Al  Al15  1  0.599  0.000  0.748  1.0
  B  B16  1  0.000  0.000  0.500  1.0
[/CIF]
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