The material described by Ta3B4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent B(2) atoms. In the second Ta site, Ta(2) is bonded to four equivalent B(2) and eight equivalent B(1) atoms to form a mixture of face and edge-sharing TaB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(2), five equivalent Ta(1), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), four equivalent Ta(2), one B(1), and two equivalent B(2) atoms. is represented by the CIF file [CIF]
data_Ta3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.135
_cell_length_b   3.293
_cell_length_c   7.371
_cell_angle_alpha   102.901
_cell_angle_beta   102.287
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   72.386
_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  0.185  0.185  0.370  1.0
  Ta  Ta1  1  0.815  0.815  0.630  1.0
  Ta  Ta2  1  0.500  0.000  0.000  1.0
  B  B3  1  0.936  0.436  0.872  1.0
  B  B4  1  0.064  0.564  0.128  1.0
  B  B5  1  0.367  0.366  0.733  1.0
  B  B6  1  0.633  0.634  0.267  1.0
[/CIF]
.
The material described by Ta3B4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to two equivalent B(1) and five equivalent B(2) atoms. In the second Ta site, Ta(2) is bonded to four equivalent B(2) and eight equivalent B(1) atoms to form a mixture of face and edge-sharing TaB12 cuboctahedra. There are two inequivalent B sites. In the first B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ta(2), five equivalent Ta(1), and two equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ta(1), four equivalent Ta(2), one B(1), and two equivalent B(2) atoms. is represented by the CIF file [CIF]
data_Ta3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.135
_cell_length_b   3.293
_cell_length_c   7.371
_cell_angle_alpha   102.901
_cell_angle_beta   102.287
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   72.386
_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  0.185  0.185  0.370  1.0
  Ta  Ta1  1  0.815  0.815  0.630  1.0
  Ta  Ta2  1  0.500  0.000  0.000  1.0
  B  B3  1  0.936  0.436  0.872  1.0
  B  B4  1  0.064  0.564  0.128  1.0
  B  B5  1  0.367  0.366  0.733  1.0
  B  B6  1  0.633  0.634  0.267  1.0
[/CIF]
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