The material structure described by Tc3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to eight Tc(1,1,1) and four equivalent Ru(1) atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Tc12 cuboctahedra; corners with fourteen Tc(1,1)Tc8Ru4 cuboctahedra; edges with six equivalent Ru(1)Tc12 cuboctahedra; edges with twelve Tc(1,1,1)Tc8Ru4 cuboctahedra; faces with four equivalent Ru(1)Tc12 cuboctahedra; and faces with sixteen Tc(1,1,1)Tc8Ru4 cuboctahedra. In the second Tc site, Tc(1) is bonded to eight Tc(1,1) and four equivalent Ru(1) atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Tc12 cuboctahedra; corners with fourteen Tc(1,1)Tc8Ru4 cuboctahedra; edges with six equivalent Ru(1)Tc12 cuboctahedra; edges with twelve Tc(1,1)Tc8Ru4 cuboctahedra; faces with four equivalent Ru(1)Tc12 cuboctahedra; and faces with sixteen Tc(1,1,1)Tc8Ru4 cuboctahedra. In the third Tc site, Tc(1) is bonded to eight Tc(1,1,1) and four equivalent Ru(1) atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Tc12 cuboctahedra; corners with fourteen Tc(1,1)Tc8Ru4 cuboctahedra; edges with six equivalent Ru(1)Tc12 cuboctahedra; edges with twelve Tc(1,1,1)Tc8Ru4 cuboctahedra; faces with four equivalent Ru(1)Tc12 cuboctahedra; and faces with sixteen Tc(1,1,1)Tc8Ru4 cuboctahedra. Ru(1) is bonded to twelve Tc(1,1,1) atoms to form RuTc12 cuboctahedra that share corners with six equivalent Ru(1)Tc12 cuboctahedra; corners with twelve Tc(1,1)Tc8Ru4 cuboctahedra; edges with eighteen Tc(1,1,1)Tc8Ru4 cuboctahedra; faces with eight equivalent Ru(1)Tc12 cuboctahedra; and faces with twelve Tc(1,1,1)Tc8Ru4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tc3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.476
_cell_length_c   4.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   112.427
_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  0.164  0.328  0.250  1.0
  Tc  Tc1  1  0.672  0.836  0.250  1.0
  Tc  Tc2  1  0.164  0.836  0.250  1.0
  Tc  Tc3  1  0.836  0.672  0.750  1.0
  Tc  Tc4  1  0.328  0.164  0.750  1.0
  Tc  Tc5  1  0.836  0.164  0.750  1.0
  Ru  Ru6  1  0.333  0.667  0.750  1.0
  Ru  Ru7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Tc3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to eight Tc(1,1,1) and four equivalent Ru(1) atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Tc12 cuboctahedra; corners with fourteen Tc(1,1)Tc8Ru4 cuboctahedra; edges with six equivalent Ru(1)Tc12 cuboctahedra; edges with twelve Tc(1,1,1)Tc8Ru4 cuboctahedra; faces with four equivalent Ru(1)Tc12 cuboctahedra; and faces with sixteen Tc(1,1,1)Tc8Ru4 cuboctahedra. In the second Tc site, Tc(1) is bonded to eight Tc(1,1) and four equivalent Ru(1) atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Tc12 cuboctahedra; corners with fourteen Tc(1,1)Tc8Ru4 cuboctahedra; edges with six equivalent Ru(1)Tc12 cuboctahedra; edges with twelve Tc(1,1)Tc8Ru4 cuboctahedra; faces with four equivalent Ru(1)Tc12 cuboctahedra; and faces with sixteen Tc(1,1,1)Tc8Ru4 cuboctahedra. In the third Tc site, Tc(1) is bonded to eight Tc(1,1,1) and four equivalent Ru(1) atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Tc12 cuboctahedra; corners with fourteen Tc(1,1)Tc8Ru4 cuboctahedra; edges with six equivalent Ru(1)Tc12 cuboctahedra; edges with twelve Tc(1,1,1)Tc8Ru4 cuboctahedra; faces with four equivalent Ru(1)Tc12 cuboctahedra; and faces with sixteen Tc(1,1,1)Tc8Ru4 cuboctahedra. Ru(1) is bonded to twelve Tc(1,1,1) atoms to form RuTc12 cuboctahedra that share corners with six equivalent Ru(1)Tc12 cuboctahedra; corners with twelve Tc(1,1)Tc8Ru4 cuboctahedra; edges with eighteen Tc(1,1,1)Tc8Ru4 cuboctahedra; faces with eight equivalent Ru(1)Tc12 cuboctahedra; and faces with twelve Tc(1,1,1)Tc8Ru4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tc3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.476
_cell_length_c   4.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   112.427
_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  0.164  0.328  0.250  1.0
  Tc  Tc1  1  0.672  0.836  0.250  1.0
  Tc  Tc2  1  0.164  0.836  0.250  1.0
  Tc  Tc3  1  0.836  0.672  0.750  1.0
  Tc  Tc4  1  0.328  0.164  0.750  1.0
  Tc  Tc5  1  0.836  0.164  0.750  1.0
  Ru  Ru6  1  0.333  0.667  0.750  1.0
  Ru  Ru7  1  0.667  0.333  0.250  1.0
[/CIF]
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