The compound described by MoReC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mo(1) is bonded to six equivalent C(1) atoms to form MoC6 octahedra that share corners with six equivalent Re(1)C6 octahedra, edges with six equivalent Mo(1)C6 octahedra, and edges with six equivalent Re(1)C6 octahedra. The corner-sharing octahedral tilt angles are 1°. Re(1) is bonded to six equivalent C(1) atoms to form ReC6 octahedra that share corners with six equivalent Mo(1)C6 octahedra, edges with six equivalent Mo(1)C6 octahedra, and edges with six equivalent Re(1)C6 octahedra. The corner-sharing octahedral tilt angles are 1°. C(1) is bonded to three equivalent Mo(1) and three equivalent Re(1) atoms to form a mixture of edge and corner-sharing CRe3Mo3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ReMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.297
_cell_length_c   5.297
_cell_angle_alpha   34.058
_cell_angle_beta   34.058
_cell_angle_gamma   34.058
_symmetry_Int_Tables_number   1
_cell_volume   41.563
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.251  0.251  0.251  1.0
  C  C3  1  0.749  0.749  0.749  1.0
[/CIF]
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The compound described by MoReC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mo(1) is bonded to six equivalent C(1) atoms to form MoC6 octahedra that share corners with six equivalent Re(1)C6 octahedra, edges with six equivalent Mo(1)C6 octahedra, and edges with six equivalent Re(1)C6 octahedra. The corner-sharing octahedral tilt angles are 1°. Re(1) is bonded to six equivalent C(1) atoms to form ReC6 octahedra that share corners with six equivalent Mo(1)C6 octahedra, edges with six equivalent Mo(1)C6 octahedra, and edges with six equivalent Re(1)C6 octahedra. The corner-sharing octahedral tilt angles are 1°. C(1) is bonded to three equivalent Mo(1) and three equivalent Re(1) atoms to form a mixture of edge and corner-sharing CRe3Mo3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_ReMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.297
_cell_length_c   5.297
_cell_angle_alpha   34.058
_cell_angle_beta   34.058
_cell_angle_gamma   34.058
_symmetry_Int_Tables_number   1
_cell_volume   41.563
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.251  0.251  0.251  1.0
  C  C3  1  0.749  0.749  0.749  1.0
[/CIF]
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