The material structure described by Ta3B2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a square co-planar geometry to four equivalent B(1) atoms. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), six equivalent Ta(2), and one B(1) atom. is represented by the CIF card [CIF]
data_Ta3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.291
_cell_length_b   6.188
_cell_length_c   6.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.989
_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  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.000  0.500  0.500  1.0
  Ta  Ta2  1  0.500  0.823  0.323  1.0
  Ta  Ta3  1  0.500  0.677  0.823  1.0
  Ta  Ta4  1  0.500  0.323  0.177  1.0
  Ta  Ta5  1  0.500  0.177  0.677  1.0
  B  B6  1  0.000  0.608  0.108  1.0
  B  B7  1  0.000  0.892  0.608  1.0
  B  B8  1  0.000  0.108  0.392  1.0
  B  B9  1  0.000  0.392  0.892  1.0
[/CIF]
.
The material structure described by Ta3B2 crystallizes in the tetragonal P4/mbm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a square co-planar geometry to four equivalent B(1) atoms. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to six equivalent B(1) atoms. B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), six equivalent Ta(2), and one B(1) atom. is represented by the CIF card [CIF]
data_Ta3B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.291
_cell_length_b   6.188
_cell_length_c   6.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.989
_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  0.000  0.000  0.000  1.0
  Ta  Ta1  1  0.000  0.500  0.500  1.0
  Ta  Ta2  1  0.500  0.823  0.323  1.0
  Ta  Ta3  1  0.500  0.677  0.823  1.0
  Ta  Ta4  1  0.500  0.323  0.177  1.0
  Ta  Ta5  1  0.500  0.177  0.677  1.0
  B  B6  1  0.000  0.608  0.108  1.0
  B  B7  1  0.000  0.892  0.608  1.0
  B  B8  1  0.000  0.108  0.392  1.0
  B  B9  1  0.000  0.392  0.892  1.0
[/CIF]
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