The material structure described by Mo5Ge3C crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 2-coordinate geometry to five equivalent Ge(1) and two equivalent C(1) atoms. In the second Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent Mo(2) atoms. C(1) is bonded to six equivalent Mo(2) atoms to form face-sharing CMo6 octahedra. is represented by the CIF file [CIF]
data_Ge3Mo5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.470
_cell_length_b   7.470
_cell_length_c   5.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.092
_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
  Ge  Ge0  1  0.404  0.000  0.750  1.0
  Ge  Ge1  1  0.404  0.404  0.250  1.0
  Ge  Ge2  1  0.000  0.596  0.250  1.0
  Ge  Ge3  1  0.000  0.404  0.750  1.0
  Ge  Ge4  1  0.596  0.596  0.750  1.0
  Ge  Ge5  1  0.596  0.000  0.250  1.0
  Mo  Mo6  1  0.667  0.333  0.000  1.0
  Mo  Mo7  1  0.333  0.667  0.500  1.0
  Mo  Mo8  1  0.667  0.333  0.500  1.0
  Mo  Mo9  1  0.333  0.667  0.000  1.0
  Mo  Mo10  1  0.774  0.000  0.750  1.0
  Mo  Mo11  1  0.774  0.774  0.250  1.0
  Mo  Mo12  1  0.000  0.226  0.250  1.0
  Mo  Mo13  1  0.000  0.774  0.750  1.0
  Mo  Mo14  1  0.226  0.226  0.750  1.0
  Mo  Mo15  1  0.226  0.000  0.250  1.0
  C  C16  1  0.000  0.000  0.500  1.0
  C  C17  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Mo5Ge3C crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 2-coordinate geometry to five equivalent Ge(1) and two equivalent C(1) atoms. In the second Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent Mo(2) atoms. C(1) is bonded to six equivalent Mo(2) atoms to form face-sharing CMo6 octahedra. is represented by the CIF file [CIF]
data_Ge3Mo5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.470
_cell_length_b   7.470
_cell_length_c   5.341
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.092
_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
  Ge  Ge0  1  0.404  0.000  0.750  1.0
  Ge  Ge1  1  0.404  0.404  0.250  1.0
  Ge  Ge2  1  0.000  0.596  0.250  1.0
  Ge  Ge3  1  0.000  0.404  0.750  1.0
  Ge  Ge4  1  0.596  0.596  0.750  1.0
  Ge  Ge5  1  0.596  0.000  0.250  1.0
  Mo  Mo6  1  0.667  0.333  0.000  1.0
  Mo  Mo7  1  0.333  0.667  0.500  1.0
  Mo  Mo8  1  0.667  0.333  0.500  1.0
  Mo  Mo9  1  0.333  0.667  0.000  1.0
  Mo  Mo10  1  0.774  0.000  0.750  1.0
  Mo  Mo11  1  0.774  0.774  0.250  1.0
  Mo  Mo12  1  0.000  0.226  0.250  1.0
  Mo  Mo13  1  0.000  0.774  0.750  1.0
  Mo  Mo14  1  0.226  0.226  0.750  1.0
  Mo  Mo15  1  0.226  0.000  0.250  1.0
  C  C16  1  0.000  0.000  0.500  1.0
  C  C17  1  0.000  0.000  0.000  1.0
[/CIF]
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