The material described by ReTc3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to twelve equivalent Tc(1) atoms to form ReTc12 cuboctahedra that share corners with six equivalent Re(1)Tc12 cuboctahedra, corners with twelve equivalent Tc(1)Re4Tc8 cuboctahedra, edges with eighteen equivalent Tc(1)Re4Tc8 cuboctahedra, faces with eight equivalent Re(1)Tc12 cuboctahedra, and faces with twelve equivalent Tc(1)Re4Tc8 cuboctahedra. Tc(1) is bonded to four equivalent Re(1) and eight equivalent Tc(1) atoms to form TcRe4Tc8 cuboctahedra that share corners with four equivalent Re(1)Tc12 cuboctahedra, corners with fourteen equivalent Tc(1)Re4Tc8 cuboctahedra, edges with six equivalent Re(1)Tc12 cuboctahedra, edges with twelve equivalent Tc(1)Re4Tc8 cuboctahedra, faces with four equivalent Re(1)Tc12 cuboctahedra, and faces with sixteen equivalent Tc(1)Re4Tc8 cuboctahedra. is represented by the CIF file [CIF]
data_ReTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.492
_cell_length_c   4.406
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.068
_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
  Re  Re0  1  0.333  0.667  0.750  1.0
  Re  Re1  1  0.667  0.333  0.250  1.0
  Tc  Tc2  1  0.167  0.334  0.250  1.0
  Tc  Tc3  1  0.666  0.833  0.250  1.0
  Tc  Tc4  1  0.167  0.833  0.250  1.0
  Tc  Tc5  1  0.833  0.666  0.750  1.0
  Tc  Tc6  1  0.334  0.167  0.750  1.0
  Tc  Tc7  1  0.833  0.167  0.750  1.0
[/CIF]
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The material described by ReTc3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Re(1) is bonded to twelve equivalent Tc(1) atoms to form ReTc12 cuboctahedra that share corners with six equivalent Re(1)Tc12 cuboctahedra, corners with twelve equivalent Tc(1)Re4Tc8 cuboctahedra, edges with eighteen equivalent Tc(1)Re4Tc8 cuboctahedra, faces with eight equivalent Re(1)Tc12 cuboctahedra, and faces with twelve equivalent Tc(1)Re4Tc8 cuboctahedra. Tc(1) is bonded to four equivalent Re(1) and eight equivalent Tc(1) atoms to form TcRe4Tc8 cuboctahedra that share corners with four equivalent Re(1)Tc12 cuboctahedra, corners with fourteen equivalent Tc(1)Re4Tc8 cuboctahedra, edges with six equivalent Re(1)Tc12 cuboctahedra, edges with twelve equivalent Tc(1)Re4Tc8 cuboctahedra, faces with four equivalent Re(1)Tc12 cuboctahedra, and faces with sixteen equivalent Tc(1)Re4Tc8 cuboctahedra. is represented by the CIF file [CIF]
data_ReTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.492
_cell_length_c   4.406
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.068
_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
  Re  Re0  1  0.333  0.667  0.750  1.0
  Re  Re1  1  0.667  0.333  0.250  1.0
  Tc  Tc2  1  0.167  0.334  0.250  1.0
  Tc  Tc3  1  0.666  0.833  0.250  1.0
  Tc  Tc4  1  0.167  0.833  0.250  1.0
  Tc  Tc5  1  0.833  0.666  0.750  1.0
  Tc  Tc6  1  0.334  0.167  0.750  1.0
  Tc  Tc7  1  0.833  0.167  0.750  1.0
[/CIF]
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