data_GaTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcB2
_chemical_formula_sum   'Ga1 Tc1 B2'
_cell_volume   43.88
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.51  1.0
  B  B0  1  0.48  0.48  0.47  1.0
  B  B1  1  0.48  0.48  0.55  1.0

data_GaTcB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaTcB2
_chemical_formula_sum   'Ga2 Tc2 B4'
_cell_volume   87.76
_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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.51  1.0
  B  B2  2  0.48  0.0  0.47  1.0
  B  B3  2  0.48  0.0  0.55  1.0

Ga Tc B B
Ga Tc B B 0 3 - - - 0 3 - o - 0 3 - o o 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 0 2 - - - 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 0 0 + o o 0 0 o + o 0 1 o o - 0 1 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 2 3 o o o 
TcGaB2 crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a q4 geometry to two equivalent Ga(1), four equivalent B(1), and four equivalent B(2) atoms. There is one shorter (2.46 Å) and one longer (2.56 Å) Tc(1)-Ga(1) bond length. There are a spread of Tc(1)-B(1) bond distances ranging from 2.01-2.19 Å. There are a spread of Tc(1)-B(2) bond distances ranging from 2.01-2.19 Å. Ga(1) is bonded to two equivalent Tc(1) and four equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing GaGa4Tc2 octahedra. The corner-sharing octahedra are not tilted. All Ga(1)-Ga(1) bond lengths are 2.96 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to four equivalent Tc(1) and one B(2) atom. The B(1)-B(2) bond length is 0.36 Å. In the second B site, B(2) is bonded in a single-bond geometry to four equivalent Tc(1) and one B(1) atom.