The material described by Tc7B3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted L-shaped geometry to two equivalent B(1) atoms. In the second Tc site, Tc(3) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. In the third Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to one Tc(3), two equivalent Tc(1), and three equivalent Tc(2) atoms. is represented by the CIF card [CIF]
data_Tc7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.467
_cell_length_b   7.467
_cell_length_c   4.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.191
_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  0.546  0.454  0.048  1.0
  Tc  Tc1  1  0.454  0.546  0.548  1.0
  Tc  Tc2  1  0.546  0.091  0.048  1.0
  Tc  Tc3  1  0.909  0.454  0.048  1.0
  Tc  Tc4  1  0.091  0.546  0.548  1.0
  Tc  Tc5  1  0.454  0.909  0.548  1.0
  Tc  Tc6  1  0.124  0.876  0.255  1.0
  Tc  Tc7  1  0.876  0.124  0.755  1.0
  Tc  Tc8  1  0.124  0.247  0.255  1.0
  Tc  Tc9  1  0.753  0.876  0.255  1.0
  Tc  Tc10  1  0.247  0.124  0.755  1.0
  Tc  Tc11  1  0.876  0.753  0.755  1.0
  Tc  Tc12  1  0.333  0.667  0.082  1.0
  Tc  Tc13  1  0.667  0.333  0.582  1.0
  B  B14  1  0.811  0.621  0.340  1.0
  B  B15  1  0.189  0.811  0.840  1.0
  B  B16  1  0.811  0.189  0.340  1.0
  B  B17  1  0.379  0.189  0.340  1.0
  B  B18  1  0.621  0.811  0.840  1.0
  B  B19  1  0.189  0.379  0.840  1.0
[/CIF]
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The material described by Tc7B3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted L-shaped geometry to two equivalent B(1) atoms. In the second Tc site, Tc(3) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. In the third Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to one Tc(3), two equivalent Tc(1), and three equivalent Tc(2) atoms. is represented by the CIF card [CIF]
data_Tc7B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.467
_cell_length_b   7.467
_cell_length_c   4.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   233.191
_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  0.546  0.454  0.048  1.0
  Tc  Tc1  1  0.454  0.546  0.548  1.0
  Tc  Tc2  1  0.546  0.091  0.048  1.0
  Tc  Tc3  1  0.909  0.454  0.048  1.0
  Tc  Tc4  1  0.091  0.546  0.548  1.0
  Tc  Tc5  1  0.454  0.909  0.548  1.0
  Tc  Tc6  1  0.124  0.876  0.255  1.0
  Tc  Tc7  1  0.876  0.124  0.755  1.0
  Tc  Tc8  1  0.124  0.247  0.255  1.0
  Tc  Tc9  1  0.753  0.876  0.255  1.0
  Tc  Tc10  1  0.247  0.124  0.755  1.0
  Tc  Tc11  1  0.876  0.753  0.755  1.0
  Tc  Tc12  1  0.333  0.667  0.082  1.0
  Tc  Tc13  1  0.667  0.333  0.582  1.0
  B  B14  1  0.811  0.621  0.340  1.0
  B  B15  1  0.189  0.811  0.840  1.0
  B  B16  1  0.811  0.189  0.340  1.0
  B  B17  1  0.379  0.189  0.340  1.0
  B  B18  1  0.621  0.811  0.840  1.0
  B  B19  1  0.189  0.379  0.840  1.0
[/CIF]
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