data_TaTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTcB2
_chemical_formula_sum   'Ta1 Tc1 B2'
_cell_volume   44.16
_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  Ta2  1  0.0  0.0  0.78  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.41  0.41  0.13  1.0
  B  B1  1  0.41  0.41  0.43  1.0

data_TaTcB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTcB2
_chemical_formula_sum   'Ta2 Tc2 B4'
_cell_volume   88.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.78  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  B  B2  2  0.41  0.0  0.13  1.0
  B  B3  2  0.41  0.0  0.43  1.0

Ta Tc B B
TaTcB2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a single-bond geometry to one Tc(1) and four equivalent B(2) atoms. The Ta(1)-Tc(1) bond length is 1.24 Å. There are a spread of Ta(1)-B(2) bond distances ranging from 2.55-3.06 Å. Tc(1) is bonded in a 1-coordinate geometry to one Ta(1) and four equivalent B(1) atoms. There are a spread of Tc(1)-B(1) bond distances ranging from 1.79-2.46 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to four equivalent Tc(1) and one B(2) atom. The B(1)-B(2) bond length is 1.64 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one B(1) atom.