The crystal structure described by Tb2Mo2C3 crystallizes in the monoclinic C2/m space group. Tb(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form TbC5 square pyramids that share corners with two equivalent Tb(1)C5 square pyramids, corners with seven equivalent Mo(1)C4 tetrahedra, edges with five equivalent Tb(1)C5 square pyramids, and edges with three equivalent Mo(1)C4 tetrahedra. Mo(1) is bonded to one C(2) and three equivalent C(1) atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent Tb(1)C5 square pyramids, corners with three equivalent Mo(1)C4 tetrahedra, edges with three equivalent Tb(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 three equivalent Tb(1) and three equivalent Mo(1) atoms to form CTb3Mo3 octahedra that share corners with three equivalent C(2)Tb4Mo2 octahedra, edges with three equivalent C(2)Tb4Mo2 octahedra, and edges with six equivalent C(1)Tb3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 11-29°. In the second C site, C(2) is bonded to four equivalent Tb(1) and two equivalent Mo(1) atoms to form CTb4Mo2 octahedra that share corners with six equivalent C(1)Tb3Mo3 octahedra, edges with two equivalent C(2)Tb4Mo2 octahedra, and edges with six equivalent C(1)Tb3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 11-29°. is represented by the CIF file [CIF]
data_Tb2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.349
_cell_length_b   5.737
_cell_length_c   6.138
_cell_angle_alpha   112.070
_cell_angle_beta   105.832
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   104.430
_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
  Tb  Tb0  1  0.391  0.178  0.781  1.0
  Tb  Tb1  1  0.609  0.822  0.219  1.0
  Mo  Mo2  1  0.158  0.325  0.315  1.0
  Mo  Mo3  1  0.842  0.675  0.685  1.0
  C  C4  1  0.250  0.732  0.499  1.0
  C  C5  1  0.750  0.268  0.501  1.0
  C  C6  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Tb2Mo2C3 crystallizes in the monoclinic C2/m space group. Tb(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form TbC5 square pyramids that share corners with two equivalent Tb(1)C5 square pyramids, corners with seven equivalent Mo(1)C4 tetrahedra, edges with five equivalent Tb(1)C5 square pyramids, and edges with three equivalent Mo(1)C4 tetrahedra. Mo(1) is bonded to one C(2) and three equivalent C(1) atoms to form distorted MoC4 tetrahedra that share corners with seven equivalent Tb(1)C5 square pyramids, corners with three equivalent Mo(1)C4 tetrahedra, edges with three equivalent Tb(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 three equivalent Tb(1) and three equivalent Mo(1) atoms to form CTb3Mo3 octahedra that share corners with three equivalent C(2)Tb4Mo2 octahedra, edges with three equivalent C(2)Tb4Mo2 octahedra, and edges with six equivalent C(1)Tb3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 11-29°. In the second C site, C(2) is bonded to four equivalent Tb(1) and two equivalent Mo(1) atoms to form CTb4Mo2 octahedra that share corners with six equivalent C(1)Tb3Mo3 octahedra, edges with two equivalent C(2)Tb4Mo2 octahedra, and edges with six equivalent C(1)Tb3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 11-29°. is represented by the CIF file [CIF]
data_Tb2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.349
_cell_length_b   5.737
_cell_length_c   6.138
_cell_angle_alpha   112.070
_cell_angle_beta   105.832
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   104.430
_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
  Tb  Tb0  1  0.391  0.178  0.781  1.0
  Tb  Tb1  1  0.609  0.822  0.219  1.0
  Mo  Mo2  1  0.158  0.325  0.315  1.0
  Mo  Mo3  1  0.842  0.675  0.685  1.0
  C  C4  1  0.250  0.732  0.499  1.0
  C  C5  1  0.750  0.268  0.501  1.0
  C  C6  1  0.000  0.000  0.000  1.0
[/CIF]
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