The material described by TcRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tc(1) is bonded to twelve equivalent Rh(1) atoms to form TcRh12 cuboctahedra that share corners with six equivalent Tc(1)Rh12 cuboctahedra, corners with twelve equivalent Rh(1)Tc4Rh8 cuboctahedra, edges with eighteen equivalent Rh(1)Tc4Rh8 cuboctahedra, faces with eight equivalent Tc(1)Rh12 cuboctahedra, and faces with twelve equivalent Rh(1)Tc4Rh8 cuboctahedra. Rh(1) is bonded to four equivalent Tc(1) and eight equivalent Rh(1) atoms to form distorted RhTc4Rh8 cuboctahedra that share corners with four equivalent Tc(1)Rh12 cuboctahedra, corners with fourteen equivalent Rh(1)Tc4Rh8 cuboctahedra, edges with six equivalent Tc(1)Rh12 cuboctahedra, edges with twelve equivalent Rh(1)Tc4Rh8 cuboctahedra, faces with four equivalent Tc(1)Rh12 cuboctahedra, and faces with sixteen equivalent Rh(1)Tc4Rh8 cuboctahedra. is represented by the CIF card [CIF]
data_TcRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   4.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.515
_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  0.333  0.667  0.750  1.0
  Tc  Tc1  1  0.667  0.333  0.250  1.0
  Rh  Rh2  1  0.168  0.337  0.250  1.0
  Rh  Rh3  1  0.663  0.832  0.250  1.0
  Rh  Rh4  1  0.168  0.832  0.250  1.0
  Rh  Rh5  1  0.832  0.663  0.750  1.0
  Rh  Rh6  1  0.337  0.168  0.750  1.0
  Rh  Rh7  1  0.832  0.168  0.750  1.0
[/CIF]
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The material described by TcRh3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Tc(1) is bonded to twelve equivalent Rh(1) atoms to form TcRh12 cuboctahedra that share corners with six equivalent Tc(1)Rh12 cuboctahedra, corners with twelve equivalent Rh(1)Tc4Rh8 cuboctahedra, edges with eighteen equivalent Rh(1)Tc4Rh8 cuboctahedra, faces with eight equivalent Tc(1)Rh12 cuboctahedra, and faces with twelve equivalent Rh(1)Tc4Rh8 cuboctahedra. Rh(1) is bonded to four equivalent Tc(1) and eight equivalent Rh(1) atoms to form distorted RhTc4Rh8 cuboctahedra that share corners with four equivalent Tc(1)Rh12 cuboctahedra, corners with fourteen equivalent Rh(1)Tc4Rh8 cuboctahedra, edges with six equivalent Tc(1)Rh12 cuboctahedra, edges with twelve equivalent Rh(1)Tc4Rh8 cuboctahedra, faces with four equivalent Tc(1)Rh12 cuboctahedra, and faces with sixteen equivalent Rh(1)Tc4Rh8 cuboctahedra. is represented by the CIF card [CIF]
data_TcRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   4.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   110.515
_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  0.333  0.667  0.750  1.0
  Tc  Tc1  1  0.667  0.333  0.250  1.0
  Rh  Rh2  1  0.168  0.337  0.250  1.0
  Rh  Rh3  1  0.663  0.832  0.250  1.0
  Rh  Rh4  1  0.168  0.832  0.250  1.0
  Rh  Rh5  1  0.832  0.663  0.750  1.0
  Rh  Rh6  1  0.337  0.168  0.750  1.0
  Rh  Rh7  1  0.832  0.168  0.750  1.0
[/CIF]
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