The material described by U2Mo2C3 crystallizes in the monoclinic C2/m space group. U(1) is bonded in a distorted pentagonal planar geometry to two equivalent C(1) and three equivalent C(2) atoms. Mo(1) is bonded to one C(1) and three equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing MoC4 trigonal pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent U(1) and two equivalent Mo(1) atoms to form CU4Mo2 octahedra that share corners with twelve equivalent C(2)U3Mo3 octahedra, edges with two equivalent C(1)U4Mo2 octahedra, and faces with two equivalent C(2)U3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second C site, C(2) is bonded to three equivalent U(1) and three equivalent Mo(1) atoms to form CU3Mo3 octahedra that share corners with six equivalent C(1)U4Mo2 octahedra, edges with six equivalent C(2)U3Mo3 octahedra, and  a faceface with one C(1)U4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. is represented by the CIF file [CIF]
data_U2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.993
_cell_length_b   5.993
_cell_length_c   5.566
_cell_angle_alpha   74.834
_cell_angle_beta   74.834
_cell_angle_gamma   30.340
_symmetry_Int_Tables_number   1
_cell_volume   97.187
_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
  U  U0  1  0.396  0.396  0.830  1.0
  U  U1  1  0.604  0.604  0.170  1.0
  Mo  Mo2  1  0.155  0.155  0.633  1.0
  Mo  Mo3  1  0.845  0.845  0.367  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  C  C5  1  0.748  0.748  0.761  1.0
  C  C6  1  0.252  0.252  0.239  1.0
[/CIF]
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The material described by U2Mo2C3 crystallizes in the monoclinic C2/m space group. U(1) is bonded in a distorted pentagonal planar geometry to two equivalent C(1) and three equivalent C(2) atoms. Mo(1) is bonded to one C(1) and three equivalent C(2) atoms to form a mixture of distorted corner and edge-sharing MoC4 trigonal pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to four equivalent U(1) and two equivalent Mo(1) atoms to form CU4Mo2 octahedra that share corners with twelve equivalent C(2)U3Mo3 octahedra, edges with two equivalent C(1)U4Mo2 octahedra, and faces with two equivalent C(2)U3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second C site, C(2) is bonded to three equivalent U(1) and three equivalent Mo(1) atoms to form CU3Mo3 octahedra that share corners with six equivalent C(1)U4Mo2 octahedra, edges with six equivalent C(2)U3Mo3 octahedra, and  a faceface with one C(1)U4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 40-59°. is represented by the CIF file [CIF]
data_U2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.993
_cell_length_b   5.993
_cell_length_c   5.566
_cell_angle_alpha   74.834
_cell_angle_beta   74.834
_cell_angle_gamma   30.340
_symmetry_Int_Tables_number   1
_cell_volume   97.187
_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
  U  U0  1  0.396  0.396  0.830  1.0
  U  U1  1  0.604  0.604  0.170  1.0
  Mo  Mo2  1  0.155  0.155  0.633  1.0
  Mo  Mo3  1  0.845  0.845  0.367  1.0
  C  C4  1  0.000  0.000  0.500  1.0
  C  C5  1  0.748  0.748  0.761  1.0
  C  C6  1  0.252  0.252  0.239  1.0
[/CIF]
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