The material described by Mo2C is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. Mo(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. C(1) is bonded to six equivalent Mo(1) atoms to form a mixture of corner and edge-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. is represented by the CIF card [CIF]
data_Mo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.729
_cell_length_b   5.210
_cell_length_c   6.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.103
_cell_formula_units_Z   4
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  0.246  0.080  0.122  1.0
  Mo  Mo1  1  0.746  0.920  0.378  1.0
  Mo  Mo2  1  0.254  0.580  0.378  1.0
  Mo  Mo3  1  0.754  0.420  0.122  1.0
  Mo  Mo4  1  0.246  0.580  0.878  1.0
  Mo  Mo5  1  0.746  0.420  0.622  1.0
  Mo  Mo6  1  0.254  0.080  0.622  1.0
  Mo  Mo7  1  0.754  0.920  0.878  1.0
  C  C8  1  0.500  0.750  0.123  1.0
  C  C9  1  0.000  0.250  0.377  1.0
  C  C10  1  0.500  0.250  0.877  1.0
  C  C11  1  0.000  0.750  0.623  1.0
[/CIF]
.
The material described by Mo2C is zeta iron carbide-like structured and crystallizes in the orthorhombic Pbcn space group. Mo(1) is bonded in a 3-coordinate geometry to three equivalent C(1) atoms. C(1) is bonded to six equivalent Mo(1) atoms to form a mixture of corner and edge-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. is represented by the CIF card [CIF]
data_Mo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.729
_cell_length_b   5.210
_cell_length_c   6.053
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   149.103
_cell_formula_units_Z   4
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  0.246  0.080  0.122  1.0
  Mo  Mo1  1  0.746  0.920  0.378  1.0
  Mo  Mo2  1  0.254  0.580  0.378  1.0
  Mo  Mo3  1  0.754  0.420  0.122  1.0
  Mo  Mo4  1  0.246  0.580  0.878  1.0
  Mo  Mo5  1  0.746  0.420  0.622  1.0
  Mo  Mo6  1  0.254  0.080  0.622  1.0
  Mo  Mo7  1  0.754  0.920  0.878  1.0
  C  C8  1  0.500  0.750  0.123  1.0
  C  C9  1  0.000  0.250  0.377  1.0
  C  C10  1  0.500  0.250  0.877  1.0
  C  C11  1  0.000  0.750  0.623  1.0
[/CIF]
.