The material structure described by Ce2Mo2C3 crystallizes in the monoclinic C2/m space group. Ce(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form distorted CeC5 square pyramids that share corners with two equivalent Ce(1)C5 square pyramids, corners with seven equivalent Mo(1)C4 tetrahedra, edges with five equivalent Ce(1)C5 square pyramids, and edges with three equivalent Mo(1)C4 tetrahedra. Mo(1) is bonded to one C(1) and three equivalent C(2) atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent Ce(1)C5 square pyramids, corners with three equivalent Mo(1)C4 tetrahedra, edges with three equivalent Ce(1)C5 square pyramids, and edges with two equivalent Mo(1)C4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Ce(1) and two equivalent Mo(1) atoms to form CCe4Mo2 octahedra that share corners with six equivalent C(2)Ce3Mo3 octahedra, edges with two equivalent C(1)Ce4Mo2 octahedra, and edges with six equivalent C(2)Ce3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. In the second C site, C(2) is bonded to three equivalent Ce(1) and three equivalent Mo(1) atoms to form CCe3Mo3 octahedra that share corners with three equivalent C(1)Ce4Mo2 octahedra, edges with three equivalent C(1)Ce4Mo2 octahedra, and edges with six equivalent C(2)Ce3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. is represented by the CIF card [CIF]
data_Ce2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.357
_cell_length_b   5.757
_cell_length_c   6.306
_cell_angle_alpha   114.269
_cell_angle_beta   105.436
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.244
_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
  Ce  Ce0  1  0.397  0.197  0.793  1.0
  Ce  Ce1  1  0.603  0.803  0.207  1.0
  Mo  Mo2  1  0.159  0.324  0.319  1.0
  Mo  Mo3  1  0.841  0.676  0.681  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.252  0.738  0.505  1.0
  C  C6  1  0.748  0.262  0.495  1.0
[/CIF]
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The material structure described by Ce2Mo2C3 crystallizes in the monoclinic C2/m space group. Ce(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form distorted CeC5 square pyramids that share corners with two equivalent Ce(1)C5 square pyramids, corners with seven equivalent Mo(1)C4 tetrahedra, edges with five equivalent Ce(1)C5 square pyramids, and edges with three equivalent Mo(1)C4 tetrahedra. Mo(1) is bonded to one C(1) and three equivalent C(2) atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent Ce(1)C5 square pyramids, corners with three equivalent Mo(1)C4 tetrahedra, edges with three equivalent Ce(1)C5 square pyramids, and edges with two equivalent Mo(1)C4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent Ce(1) and two equivalent Mo(1) atoms to form CCe4Mo2 octahedra that share corners with six equivalent C(2)Ce3Mo3 octahedra, edges with two equivalent C(1)Ce4Mo2 octahedra, and edges with six equivalent C(2)Ce3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. In the second C site, C(2) is bonded to three equivalent Ce(1) and three equivalent Mo(1) atoms to form CCe3Mo3 octahedra that share corners with three equivalent C(1)Ce4Mo2 octahedra, edges with three equivalent C(1)Ce4Mo2 octahedra, and edges with six equivalent C(2)Ce3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 16-31°. is represented by the CIF card [CIF]
data_Ce2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.357
_cell_length_b   5.757
_cell_length_c   6.306
_cell_angle_alpha   114.269
_cell_angle_beta   105.436
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   106.244
_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
  Ce  Ce0  1  0.397  0.197  0.793  1.0
  Ce  Ce1  1  0.603  0.803  0.207  1.0
  Mo  Mo2  1  0.159  0.324  0.319  1.0
  Mo  Mo3  1  0.841  0.676  0.681  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.252  0.738  0.505  1.0
  C  C6  1  0.748  0.262  0.495  1.0
[/CIF]
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