The crystal structure described by MoRe3 crystallizes in the hexagonal P-6m2 space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Re(2) atoms to form MoRe6Mo6 cuboctahedra that share corners with six equivalent Mo(1)Re6Mo6 cuboctahedra, corners with twelve equivalent Re(1)Re12 cuboctahedra, edges with six equivalent Mo(1)Re6Mo6 cuboctahedra, edges with twelve equivalent Re(2)Re9Mo3 cuboctahedra, faces with two equivalent Re(1)Re12 cuboctahedra, faces with six equivalent Mo(1)Re6Mo6 cuboctahedra, and faces with twelve equivalent Re(2)Re9Mo3 cuboctahedra. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Re(1) and six equivalent Re(2) atoms to form ReRe12 cuboctahedra that share corners with six equivalent Re(1)Re12 cuboctahedra, corners with twelve equivalent Mo(1)Re6Mo6 cuboctahedra, edges with six equivalent Re(1)Re12 cuboctahedra, edges with twelve equivalent Re(2)Re9Mo3 cuboctahedra, faces with two equivalent Mo(1)Re6Mo6 cuboctahedra, faces with six equivalent Re(1)Re12 cuboctahedra, and faces with twelve equivalent Re(2)Re9Mo3 cuboctahedra. In the second Re site, Re(2) is bonded to three equivalent Mo(1), three equivalent Re(1), and six equivalent Re(2) atoms to form ReRe9Mo3 cuboctahedra that share corners with eighteen equivalent Re(2)Re9Mo3 cuboctahedra, edges with six equivalent Mo(1)Re6Mo6 cuboctahedra, edges with six equivalent Re(1)Re12 cuboctahedra, edges with six equivalent Re(2)Re9Mo3 cuboctahedra, faces with six equivalent Mo(1)Re6Mo6 cuboctahedra, faces with six equivalent Re(1)Re12 cuboctahedra, and faces with eight equivalent Re(2)Re9Mo3 cuboctahedra. is represented by the CIF card [CIF]
data_Re3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.784
_cell_length_b   2.784
_cell_length_c   9.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   61.291
_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
  Re  Re0  1  0.667  0.333  0.500  1.0
  Re  Re1  1  0.333  0.667  0.256  1.0
  Re  Re2  1  0.333  0.667  0.744  1.0
  Mo  Mo3  1  0.667  0.333  0.000  1.0
[/CIF]
.
The crystal structure described by MoRe3 crystallizes in the hexagonal P-6m2 space group. Mo(1) is bonded to six equivalent Mo(1) and six equivalent Re(2) atoms to form MoRe6Mo6 cuboctahedra that share corners with six equivalent Mo(1)Re6Mo6 cuboctahedra, corners with twelve equivalent Re(1)Re12 cuboctahedra, edges with six equivalent Mo(1)Re6Mo6 cuboctahedra, edges with twelve equivalent Re(2)Re9Mo3 cuboctahedra, faces with two equivalent Re(1)Re12 cuboctahedra, faces with six equivalent Mo(1)Re6Mo6 cuboctahedra, and faces with twelve equivalent Re(2)Re9Mo3 cuboctahedra. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six equivalent Re(1) and six equivalent Re(2) atoms to form ReRe12 cuboctahedra that share corners with six equivalent Re(1)Re12 cuboctahedra, corners with twelve equivalent Mo(1)Re6Mo6 cuboctahedra, edges with six equivalent Re(1)Re12 cuboctahedra, edges with twelve equivalent Re(2)Re9Mo3 cuboctahedra, faces with two equivalent Mo(1)Re6Mo6 cuboctahedra, faces with six equivalent Re(1)Re12 cuboctahedra, and faces with twelve equivalent Re(2)Re9Mo3 cuboctahedra. In the second Re site, Re(2) is bonded to three equivalent Mo(1), three equivalent Re(1), and six equivalent Re(2) atoms to form ReRe9Mo3 cuboctahedra that share corners with eighteen equivalent Re(2)Re9Mo3 cuboctahedra, edges with six equivalent Mo(1)Re6Mo6 cuboctahedra, edges with six equivalent Re(1)Re12 cuboctahedra, edges with six equivalent Re(2)Re9Mo3 cuboctahedra, faces with six equivalent Mo(1)Re6Mo6 cuboctahedra, faces with six equivalent Re(1)Re12 cuboctahedra, and faces with eight equivalent Re(2)Re9Mo3 cuboctahedra. is represented by the CIF card [CIF]
data_Re3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.784
_cell_length_b   2.784
_cell_length_c   9.131
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   61.291
_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
  Re  Re0  1  0.667  0.333  0.500  1.0
  Re  Re1  1  0.333  0.667  0.256  1.0
  Re  Re2  1  0.333  0.667  0.744  1.0
  Mo  Mo3  1  0.667  0.333  0.000  1.0
[/CIF]
.