The crystal structure described by MoRh3 crystallizes in the hexagonal P-6m2 space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Rh(2) atoms to form MoMo6Rh6 cuboctahedra that share corners with six equivalent Mo(1)Mo6Rh6 cuboctahedra, corners with twelve equivalent Rh(1)Rh12 cuboctahedra, edges with six equivalent Mo(1)Mo6Rh6 cuboctahedra, edges with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra, faces with two equivalent Rh(1)Rh12 cuboctahedra, faces with six equivalent Mo(1)Mo6Rh6 cuboctahedra, and faces with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to six equivalent Rh(1) and six equivalent Rh(2) atoms to form RhRh12 cuboctahedra that share corners with six equivalent Rh(1)Rh12 cuboctahedra, corners with twelve equivalent Mo(1)Mo6Rh6 cuboctahedra, edges with six equivalent Rh(1)Rh12 cuboctahedra, edges with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra, faces with two equivalent Mo(1)Mo6Rh6 cuboctahedra, faces with six equivalent Rh(1)Rh12 cuboctahedra, and faces with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra. In the second Rh site, Rh(2) is bonded to three equivalent Mo(1), three equivalent Rh(1), and six equivalent Rh(2) atoms to form RhMo3Rh9 cuboctahedra that share corners with eighteen equivalent Rh(2)Mo3Rh9 cuboctahedra, edges with six equivalent Mo(1)Mo6Rh6 cuboctahedra, edges with six equivalent Rh(2)Mo3Rh9 cuboctahedra, edges with six equivalent Rh(1)Rh12 cuboctahedra, faces with six equivalent Mo(1)Mo6Rh6 cuboctahedra, faces with six equivalent Rh(1)Rh12 cuboctahedra, and faces with eight equivalent Rh(2)Mo3Rh9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.773
_cell_length_b   2.773
_cell_length_c   8.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   58.786
_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
  Mo  Mo0  1  0.333  0.667  0.000  1.0
  Rh  Rh1  1  0.333  0.667  0.500  1.0
  Rh  Rh2  1  0.000  0.000  0.245  1.0
  Rh  Rh3  1  0.000  0.000  0.755  1.0
[/CIF]
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The crystal structure described by MoRh3 crystallizes in the hexagonal P-6m2 space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Rh(2) atoms to form MoMo6Rh6 cuboctahedra that share corners with six equivalent Mo(1)Mo6Rh6 cuboctahedra, corners with twelve equivalent Rh(1)Rh12 cuboctahedra, edges with six equivalent Mo(1)Mo6Rh6 cuboctahedra, edges with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra, faces with two equivalent Rh(1)Rh12 cuboctahedra, faces with six equivalent Mo(1)Mo6Rh6 cuboctahedra, and faces with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to six equivalent Rh(1) and six equivalent Rh(2) atoms to form RhRh12 cuboctahedra that share corners with six equivalent Rh(1)Rh12 cuboctahedra, corners with twelve equivalent Mo(1)Mo6Rh6 cuboctahedra, edges with six equivalent Rh(1)Rh12 cuboctahedra, edges with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra, faces with two equivalent Mo(1)Mo6Rh6 cuboctahedra, faces with six equivalent Rh(1)Rh12 cuboctahedra, and faces with twelve equivalent Rh(2)Mo3Rh9 cuboctahedra. In the second Rh site, Rh(2) is bonded to three equivalent Mo(1), three equivalent Rh(1), and six equivalent Rh(2) atoms to form RhMo3Rh9 cuboctahedra that share corners with eighteen equivalent Rh(2)Mo3Rh9 cuboctahedra, edges with six equivalent Mo(1)Mo6Rh6 cuboctahedra, edges with six equivalent Rh(2)Mo3Rh9 cuboctahedra, edges with six equivalent Rh(1)Rh12 cuboctahedra, faces with six equivalent Mo(1)Mo6Rh6 cuboctahedra, faces with six equivalent Rh(1)Rh12 cuboctahedra, and faces with eight equivalent Rh(2)Mo3Rh9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.773
_cell_length_b   2.773
_cell_length_c   8.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   58.786
_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
  Mo  Mo0  1  0.333  0.667  0.000  1.0
  Rh  Rh1  1  0.333  0.667  0.500  1.0
  Rh  Rh2  1  0.000  0.000  0.245  1.0
  Rh  Rh3  1  0.000  0.000  0.755  1.0
[/CIF]
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