The compound described by Rh3Se is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Se(1) atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent Se(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Rh8Se4 cuboctahedra; edges with six equivalent Se(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Rh8Se4 cuboctahedra; faces with four equivalent Se(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Rh8Se4 cuboctahedra. In the second Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Se(1) atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent Se(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Rh8Se4 cuboctahedra; edges with six equivalent Se(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Rh8Se4 cuboctahedra; faces with four equivalent Se(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Rh8Se4 cuboctahedra. In the third Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Se(1) atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent Se(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1,1)Rh8Se4 cuboctahedra; edges with six equivalent Se(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Rh8Se4 cuboctahedra; faces with four equivalent Se(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Rh8Se4 cuboctahedra. Se(1) is bonded to twelve Rh(1,1,1) atoms to form SeRh12 cuboctahedra that share corners with six equivalent Se(1)Rh12 cuboctahedra; corners with twelve Rh(1,1,1)Rh8Se4 cuboctahedra; edges with eighteen Rh(1,1,1)Rh8Se4 cuboctahedra; faces with eight equivalent Se(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1,1)Rh8Se4 cuboctahedra. is represented by the CIF card [CIF]
data_Rh3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   4.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.836
_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
  Rh  Rh0  1  0.165  0.329  0.250  1.0
  Rh  Rh1  1  0.671  0.835  0.250  1.0
  Rh  Rh2  1  0.165  0.835  0.250  1.0
  Rh  Rh3  1  0.835  0.671  0.750  1.0
  Rh  Rh4  1  0.329  0.165  0.750  1.0
  Rh  Rh5  1  0.835  0.165  0.750  1.0
  Se  Se6  1  0.333  0.667  0.750  1.0
  Se  Se7  1  0.667  0.333  0.250  1.0
[/CIF]
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The compound described by Rh3Se is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Se(1) atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent Se(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Rh8Se4 cuboctahedra; edges with six equivalent Se(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Rh8Se4 cuboctahedra; faces with four equivalent Se(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Rh8Se4 cuboctahedra. In the second Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Se(1) atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent Se(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1)Rh8Se4 cuboctahedra; edges with six equivalent Se(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Rh8Se4 cuboctahedra; faces with four equivalent Se(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Rh8Se4 cuboctahedra. In the third Rh site, Rh(1) is bonded to eight Rh(1,1) and four equivalent Se(1) atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent Se(1)Rh12 cuboctahedra; corners with fourteen Rh(1,1,1)Rh8Se4 cuboctahedra; edges with six equivalent Se(1)Rh12 cuboctahedra; edges with twelve Rh(1,1)Rh8Se4 cuboctahedra; faces with four equivalent Se(1)Rh12 cuboctahedra; and faces with sixteen Rh(1,1,1)Rh8Se4 cuboctahedra. Se(1) is bonded to twelve Rh(1,1,1) atoms to form SeRh12 cuboctahedra that share corners with six equivalent Se(1)Rh12 cuboctahedra; corners with twelve Rh(1,1,1)Rh8Se4 cuboctahedra; edges with eighteen Rh(1,1,1)Rh8Se4 cuboctahedra; faces with eight equivalent Se(1)Rh12 cuboctahedra; and faces with twelve Rh(1,1,1)Rh8Se4 cuboctahedra. is represented by the CIF card [CIF]
data_Rh3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   4.449
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   120.836
_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
  Rh  Rh0  1  0.165  0.329  0.250  1.0
  Rh  Rh1  1  0.671  0.835  0.250  1.0
  Rh  Rh2  1  0.165  0.835  0.250  1.0
  Rh  Rh3  1  0.835  0.671  0.750  1.0
  Rh  Rh4  1  0.329  0.165  0.750  1.0
  Rh  Rh5  1  0.835  0.165  0.750  1.0
  Se  Se6  1  0.333  0.667  0.750  1.0
  Se  Se7  1  0.667  0.333  0.250  1.0
[/CIF]
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