The material described by TcB is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tc(1) is bonded to six equivalent B(1) atoms to form a mixture of distorted edge, corner, and face-sharing TcB6 octahedra. The corner-sharing octahedral tilt angles are 44°. B(1) is bonded to six equivalent Tc(1) atoms to form a mixture of distorted edge and corner-sharing BTc6 pentagonal pyramids. is represented by the CIF card [CIF]
data_TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.875
_cell_length_b   2.875
_cell_length_c   5.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   42.575
_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
  Tc  Tc0  1  0.000  0.000  0.500  1.0
  Tc  Tc1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.333  0.667  0.250  1.0
  B  B3  1  0.667  0.333  0.750  1.0
[/CIF]
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The material described by TcB is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tc(1) is bonded to six equivalent B(1) atoms to form a mixture of distorted edge, corner, and face-sharing TcB6 octahedra. The corner-sharing octahedral tilt angles are 44°. B(1) is bonded to six equivalent Tc(1) atoms to form a mixture of distorted edge and corner-sharing BTc6 pentagonal pyramids. is represented by the CIF card [CIF]
data_TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.875
_cell_length_b   2.875
_cell_length_c   5.946
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   42.575
_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
  Tc  Tc0  1  0.000  0.000  0.500  1.0
  Tc  Tc1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.333  0.667  0.250  1.0
  B  B3  1  0.667  0.333  0.750  1.0
[/CIF]
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