data_CeMoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   129.82
_cell_angle_beta   129.82
_cell_angle_gamma   73.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeMoO2
_chemical_formula_sum   'Ce4 Mo4 O8'
_cell_volume   252.32
_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
  Ce  Ce0  1  0.0  0.61  0.6  1.0
  Ce  Ce1  1  0.22  0.61  0.52  1.0
  Ce  Ce2  1  0.61  0.0  0.56  1.0
  Ce  Ce3  1  0.61  0.22  0.48  1.0
  Mo  Mo4  1  0.0  0.61  0.52  1.0
  Mo  Mo5  1  0.0  0.83  0.52  1.0
  Mo  Mo6  1  0.39  0.22  0.56  1.0
  Mo  Mo7  1  0.61  0.22  0.56  1.0
  O  O8  1  0.44  0.0  0.09  1.0
  O  O9  1  0.0  0.0  0.09  1.0
  O  O10  1  0.22  0.44  0.06  1.0
  O  O11  1  0.78  0.0  0.02  1.0
  O  O12  1  0.0  0.78  0.13  1.0
  O  O13  1  0.44  0.22  0.94  1.0
  O  O14  1  0.22  0.78  0.98  1.0
  O  O15  1  0.22  0.22  0.98  1.0

data_CeMoO2
_symmetry_space_group_name_H-M   C2
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   126.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   CeMoO2
_chemical_formula_sum   'Ce8 Mo8 O16'
_cell_volume   504.64
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y, -z'
  3  'x+1/2, y+1/2, z'
  4  '-x+1/2, y+1/2, -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  4  0.14  0.88  0.83  1.0
  Ce  Ce1  4  0.18  0.27  0.87  1.0
  Mo  Mo2  4  0.18  0.49  0.87  1.0
  Mo  Mo3  4  0.21  0.88  0.91  1.0
  O  O4  4  0.05  0.85  0.17  1.0
  O  O5  4  0.17  0.07  0.28  1.0
  O  O6  4  0.18  0.46  0.46  1.0
  O  O7  4  0.2  0.18  0.43  1.0

Ce Ce Ce Ce Mo Mo Mo Mo O O O O O O O O
CeMoO2 crystallizes in the monoclinic C2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted bent 120 degrees geometry to one Mo(1), one O(1), and one O(2) atom. The Ce(1)-Mo(1) bond length is 0.60 Å. The Ce(1)-O(1) bond length is 1.77 Å. The Ce(1)-O(2) bond length is 2.94 Å. In the second Ce site, Ce(2) is bonded in a 1-coordinate geometry to one Mo(1), two equivalent Mo(2), one O(2), and one O(3) atom. The Ce(2)-Mo(1) bond length is 1.68 Å. There is one shorter (2.02 Å) and one longer (3.00 Å) Ce(2)-Mo(2) bond length. The Ce(2)-O(2) bond length is 3.15 Å. The Ce(2)-O(3) bond length is 2.88 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Ce(1), one Ce(2), and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.68 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to two equivalent Ce(2), one Mo(1), one O(2), and one O(4) atom. The Mo(2)-O(2) bond length is 2.42 Å. The Mo(2)-O(4) bond length is 2.69 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ce(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ce(1), one Ce(2), one Mo(2), one O(3), and one O(4) atom. The O(2)-O(3) bond length is 1.40 Å. The O(2)-O(4) bond length is 1.88 Å. In the third O site, O(3) is bonded in an L-shaped geometry to one Ce(2) and one O(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(2) and one O(2) atom.