The material described by UMoC2 crystallizes in the orthorhombic Pnma space group. U(1) is bonded to three equivalent C(1) and four equivalent C(2) atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent U(1)C7 pentagonal bipyramids, corners with three equivalent Mo(1)C5 trigonal bipyramids, edges with four equivalent U(1)C7 pentagonal bipyramids, edges with seven equivalent Mo(1)C5 trigonal bipyramids, and faces with two equivalent U(1)C7 pentagonal bipyramids. Mo(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form MoC5 trigonal bipyramids that share corners with three equivalent U(1)C7 pentagonal bipyramids, corners with four equivalent Mo(1)C5 trigonal bipyramids, edges with seven equivalent U(1)C7 pentagonal bipyramids, and edges with two equivalent Mo(1)C5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent U(1) and three equivalent Mo(1) atoms to form CU3Mo3 octahedra that share corners with nine equivalent C(2)U4Mo2 octahedra, edges with three equivalent C(2)U4Mo2 octahedra, edges with six equivalent C(1)U3Mo3 octahedra, and  a faceface with one C(2)U4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. In the second C site, C(2) is bonded to four equivalent U(1) and two equivalent Mo(1) atoms to form CU4Mo2 octahedra that share corners with four equivalent C(2)U4Mo2 octahedra, corners with nine equivalent C(1)U3Mo3 octahedra, edges with two equivalent C(2)U4Mo2 octahedra, edges with three equivalent C(1)U3Mo3 octahedra,  a faceface with one C(1)U3Mo3 octahedra, and faces with two equivalent C(2)U4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. is represented by the CIF file [CIF]
data_UMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.218
_cell_length_b   5.623
_cell_length_c   11.033
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.625
_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
  U  U0  1  0.250  0.579  0.357  1.0
  U  U1  1  0.750  0.421  0.643  1.0
  U  U2  1  0.250  0.079  0.142  1.0
  U  U3  1  0.750  0.921  0.858  1.0
  Mo  Mo4  1  0.750  0.578  0.100  1.0
  Mo  Mo5  1  0.750  0.078  0.399  1.0
  Mo  Mo6  1  0.250  0.422  0.900  1.0
  Mo  Mo7  1  0.250  0.922  0.601  1.0
  C  C8  1  0.250  0.252  0.493  1.0
  C  C9  1  0.750  0.748  0.507  1.0
  C  C10  1  0.250  0.752  0.007  1.0
  C  C11  1  0.750  0.248  0.993  1.0
  C  C12  1  0.250  0.661  0.744  1.0
  C  C13  1  0.750  0.839  0.244  1.0
  C  C14  1  0.250  0.161  0.756  1.0
  C  C15  1  0.750  0.339  0.256  1.0
[/CIF]
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The material described by UMoC2 crystallizes in the orthorhombic Pnma space group. U(1) is bonded to three equivalent C(1) and four equivalent C(2) atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent U(1)C7 pentagonal bipyramids, corners with three equivalent Mo(1)C5 trigonal bipyramids, edges with four equivalent U(1)C7 pentagonal bipyramids, edges with seven equivalent Mo(1)C5 trigonal bipyramids, and faces with two equivalent U(1)C7 pentagonal bipyramids. Mo(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form MoC5 trigonal bipyramids that share corners with three equivalent U(1)C7 pentagonal bipyramids, corners with four equivalent Mo(1)C5 trigonal bipyramids, edges with seven equivalent U(1)C7 pentagonal bipyramids, and edges with two equivalent Mo(1)C5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent U(1) and three equivalent Mo(1) atoms to form CU3Mo3 octahedra that share corners with nine equivalent C(2)U4Mo2 octahedra, edges with three equivalent C(2)U4Mo2 octahedra, edges with six equivalent C(1)U3Mo3 octahedra, and  a faceface with one C(2)U4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. In the second C site, C(2) is bonded to four equivalent U(1) and two equivalent Mo(1) atoms to form CU4Mo2 octahedra that share corners with four equivalent C(2)U4Mo2 octahedra, corners with nine equivalent C(1)U3Mo3 octahedra, edges with two equivalent C(2)U4Mo2 octahedra, edges with three equivalent C(1)U3Mo3 octahedra,  a faceface with one C(1)U3Mo3 octahedra, and faces with two equivalent C(2)U4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 15-58°. is represented by the CIF file [CIF]
data_UMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.218
_cell_length_b   5.623
_cell_length_c   11.033
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   199.625
_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
  U  U0  1  0.250  0.579  0.357  1.0
  U  U1  1  0.750  0.421  0.643  1.0
  U  U2  1  0.250  0.079  0.142  1.0
  U  U3  1  0.750  0.921  0.858  1.0
  Mo  Mo4  1  0.750  0.578  0.100  1.0
  Mo  Mo5  1  0.750  0.078  0.399  1.0
  Mo  Mo6  1  0.250  0.422  0.900  1.0
  Mo  Mo7  1  0.250  0.922  0.601  1.0
  C  C8  1  0.250  0.252  0.493  1.0
  C  C9  1  0.750  0.748  0.507  1.0
  C  C10  1  0.250  0.752  0.007  1.0
  C  C11  1  0.750  0.248  0.993  1.0
  C  C12  1  0.250  0.661  0.744  1.0
  C  C13  1  0.750  0.839  0.244  1.0
  C  C14  1  0.250  0.161  0.756  1.0
  C  C15  1  0.750  0.339  0.256  1.0
[/CIF]
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