The material structure described by Ta2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Ta(1) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to eight equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Ta2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.766
_cell_length_b   4.766
_cell_length_c   4.766
_cell_angle_alpha   105.110
_cell_angle_beta   105.110
_cell_angle_gamma   118.597
_symmetry_Int_Tables_number   1
_cell_volume   81.721
_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  0.833  0.667  0.500  1.0
  Ta  Ta1  1  0.333  0.833  0.167  1.0
  Ta  Ta2  1  0.167  0.333  0.500  1.0
  Ta  Ta3  1  0.667  0.167  0.833  1.0
  B  B4  1  0.750  0.750  0.000  1.0
  B  B5  1  0.250  0.250  0.000  1.0
[/CIF]
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The material structure described by Ta2B is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. Ta(1) is bonded in a 4-coordinate geometry to four equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to eight equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Ta2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.766
_cell_length_b   4.766
_cell_length_c   4.766
_cell_angle_alpha   105.110
_cell_angle_beta   105.110
_cell_angle_gamma   118.597
_symmetry_Int_Tables_number   1
_cell_volume   81.721
_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  0.833  0.667  0.500  1.0
  Ta  Ta1  1  0.333  0.833  0.167  1.0
  Ta  Ta2  1  0.167  0.333  0.500  1.0
  Ta  Ta3  1  0.667  0.167  0.833  1.0
  B  B4  1  0.750  0.750  0.000  1.0
  B  B5  1  0.250  0.250  0.000  1.0
[/CIF]
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