The crystal structure described by Mo3Os3C2 is H-Phase-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to three equivalent Os(1) and three equivalent C(1) atoms. In the second Mo site, Mo(2) is bonded to six equivalent C(1) atoms to form edge-sharing MoC6 octahedra. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to three equivalent Mo(1), three equivalent Os(2), and six equivalent Os(1) atoms to form OsMo3Os9 cuboctahedra that share corners with nine equivalent Os(1)Mo3Os9 cuboctahedra, corners with six equivalent C(1)Mo6 octahedra, edges with six equivalent Os(2)Os12 cuboctahedra, edges with nine equivalent Os(1)Mo3Os9 cuboctahedra, faces with six equivalent Os(1)Mo3Os9 cuboctahedra, faces with six equivalent Os(2)Os12 cuboctahedra, and  a faceface with one C(1)Mo6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Os site, Os(2) is bonded to six equivalent Os(1) and six equivalent Os(2) atoms to form OsOs12 cuboctahedra that share corners with six equivalent Os(2)Os12 cuboctahedra, edges with six equivalent Os(2)Os12 cuboctahedra, edges with twelve equivalent Os(1)Mo3Os9 cuboctahedra, faces with six equivalent Os(2)Os12 cuboctahedra, and faces with twelve equivalent Os(1)Mo3Os9 cuboctahedra. C(1) is bonded to three equivalent Mo(1) and three equivalent Mo(2) atoms to form CMo6 octahedra that share corners with six equivalent Os(1)Mo3Os9 cuboctahedra, corners with three equivalent C(1)Mo6 octahedra, edges with nine equivalent C(1)Mo6 octahedra, and  a faceface with one Os(1)Mo3Os9 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Mo3Os3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.886
_cell_length_b   2.886
_cell_length_c   14.149
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   102.084
_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  0.000  0.000  0.978  1.0
  Mo  Mo1  1  0.667  0.333  0.167  1.0
  Mo  Mo2  1  0.333  0.667  0.355  1.0
  Os  Os3  1  0.000  0.000  0.514  1.0
  Os  Os4  1  0.667  0.333  0.667  1.0
  Os  Os5  1  0.333  0.667  0.820  1.0
  C  C6  1  0.333  0.667  0.068  1.0
  C  C7  1  0.000  0.000  0.265  1.0
[/CIF]
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The crystal structure described by Mo3Os3C2 is H-Phase-like structured and crystallizes in the trigonal P-3m1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to three equivalent Os(1) and three equivalent C(1) atoms. In the second Mo site, Mo(2) is bonded to six equivalent C(1) atoms to form edge-sharing MoC6 octahedra. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to three equivalent Mo(1), three equivalent Os(2), and six equivalent Os(1) atoms to form OsMo3Os9 cuboctahedra that share corners with nine equivalent Os(1)Mo3Os9 cuboctahedra, corners with six equivalent C(1)Mo6 octahedra, edges with six equivalent Os(2)Os12 cuboctahedra, edges with nine equivalent Os(1)Mo3Os9 cuboctahedra, faces with six equivalent Os(1)Mo3Os9 cuboctahedra, faces with six equivalent Os(2)Os12 cuboctahedra, and  a faceface with one C(1)Mo6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second Os site, Os(2) is bonded to six equivalent Os(1) and six equivalent Os(2) atoms to form OsOs12 cuboctahedra that share corners with six equivalent Os(2)Os12 cuboctahedra, edges with six equivalent Os(2)Os12 cuboctahedra, edges with twelve equivalent Os(1)Mo3Os9 cuboctahedra, faces with six equivalent Os(2)Os12 cuboctahedra, and faces with twelve equivalent Os(1)Mo3Os9 cuboctahedra. C(1) is bonded to three equivalent Mo(1) and three equivalent Mo(2) atoms to form CMo6 octahedra that share corners with six equivalent Os(1)Mo3Os9 cuboctahedra, corners with three equivalent C(1)Mo6 octahedra, edges with nine equivalent C(1)Mo6 octahedra, and  a faceface with one Os(1)Mo3Os9 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Mo3Os3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.886
_cell_length_b   2.886
_cell_length_c   14.149
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   102.084
_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  0.000  0.000  0.978  1.0
  Mo  Mo1  1  0.667  0.333  0.167  1.0
  Mo  Mo2  1  0.333  0.667  0.355  1.0
  Os  Os3  1  0.000  0.000  0.514  1.0
  Os  Os4  1  0.667  0.333  0.667  1.0
  Os  Os5  1  0.333  0.667  0.820  1.0
  C  C6  1  0.333  0.667  0.068  1.0
  C  C7  1  0.000  0.000  0.265  1.0
[/CIF]
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