The material structure described by Tc3N crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Tc(1) and six equivalent Tc(2) atoms to form TcTc12 cuboctahedra that share corners with six equivalent Tc(1)Tc12 cuboctahedra, corners with twelve equivalent N(1)Tc6 pentagonal pyramids, edges with six equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, and faces with two equivalent N(1)Tc6 pentagonal pyramids. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent Tc(1) and three equivalent N(1) atoms. N(1) is bonded to six equivalent Tc(2) atoms to form distorted NTc6 pentagonal pyramids that share corners with twelve equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent N(1)Tc6 pentagonal pyramids, and faces with two equivalent Tc(1)Tc12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tc3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.798
_cell_length_b   2.798
_cell_length_c   7.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   47.719
_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
  Tc  Tc0  1  0.667  0.333  0.500  1.0
  Tc  Tc1  1  0.333  0.667  0.803  1.0
  Tc  Tc2  1  0.333  0.667  0.197  1.0
  N  N3  1  0.667  0.333  0.000  1.0
[/CIF]
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The material structure described by Tc3N crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Tc(1) and six equivalent Tc(2) atoms to form TcTc12 cuboctahedra that share corners with six equivalent Tc(1)Tc12 cuboctahedra, corners with twelve equivalent N(1)Tc6 pentagonal pyramids, edges with six equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, and faces with two equivalent N(1)Tc6 pentagonal pyramids. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent Tc(1) and three equivalent N(1) atoms. N(1) is bonded to six equivalent Tc(2) atoms to form distorted NTc6 pentagonal pyramids that share corners with twelve equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent N(1)Tc6 pentagonal pyramids, and faces with two equivalent Tc(1)Tc12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tc3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.798
_cell_length_b   2.798
_cell_length_c   7.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   47.719
_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
  Tc  Tc0  1  0.667  0.333  0.500  1.0
  Tc  Tc1  1  0.333  0.667  0.803  1.0
  Tc  Tc2  1  0.333  0.667  0.197  1.0
  N  N3  1  0.667  0.333  0.000  1.0
[/CIF]
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