The material structure described by Gd2Mo2C3 crystallizes in the monoclinic C2/m space group. Gd(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form GdC5 square pyramids that share corners with two equivalent Gd(1)C5 square pyramids, corners with seven equivalent Mo(1)C4 tetrahedra, edges with five equivalent Gd(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 Gd(1)C5 square pyramids, corners with three equivalent Mo(1)C4 tetrahedra, edges with three equivalent Gd(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 Gd(1) and two equivalent Mo(1) atoms to form CGd4Mo2 octahedra that share corners with six equivalent C(2)Gd3Mo3 octahedra, edges with two equivalent C(1)Gd4Mo2 octahedra, and edges with six equivalent C(2)Gd3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 12-29°. In the second C site, C(2) is bonded to three equivalent Gd(1) and three equivalent Mo(1) atoms to form CGd3Mo3 octahedra that share corners with three equivalent C(1)Gd4Mo2 octahedra, edges with three equivalent C(1)Gd4Mo2 octahedra, and edges with six equivalent C(2)Gd3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 12-29°. is represented by the CIF card [CIF]
data_Gd2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.362
_cell_length_b   5.767
_cell_length_c   6.184
_cell_angle_alpha   112.540
_cell_angle_beta   105.772
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.843
_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
  Gd  Gd0  1  0.392  0.182  0.783  1.0
  Gd  Gd1  1  0.608  0.818  0.217  1.0
  Mo  Mo2  1  0.158  0.324  0.316  1.0
  Mo  Mo3  1  0.842  0.676  0.684  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.250  0.730  0.501  1.0
  C  C6  1  0.750  0.270  0.499  1.0
[/CIF]
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The material structure described by Gd2Mo2C3 crystallizes in the monoclinic C2/m space group. Gd(1) is bonded to two equivalent C(1) and three equivalent C(2) atoms to form GdC5 square pyramids that share corners with two equivalent Gd(1)C5 square pyramids, corners with seven equivalent Mo(1)C4 tetrahedra, edges with five equivalent Gd(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 Gd(1)C5 square pyramids, corners with three equivalent Mo(1)C4 tetrahedra, edges with three equivalent Gd(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 Gd(1) and two equivalent Mo(1) atoms to form CGd4Mo2 octahedra that share corners with six equivalent C(2)Gd3Mo3 octahedra, edges with two equivalent C(1)Gd4Mo2 octahedra, and edges with six equivalent C(2)Gd3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 12-29°. In the second C site, C(2) is bonded to three equivalent Gd(1) and three equivalent Mo(1) atoms to form CGd3Mo3 octahedra that share corners with three equivalent C(1)Gd4Mo2 octahedra, edges with three equivalent C(1)Gd4Mo2 octahedra, and edges with six equivalent C(2)Gd3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 12-29°. is represented by the CIF card [CIF]
data_Gd2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.362
_cell_length_b   5.767
_cell_length_c   6.184
_cell_angle_alpha   112.540
_cell_angle_beta   105.772
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.843
_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
  Gd  Gd0  1  0.392  0.182  0.783  1.0
  Gd  Gd1  1  0.608  0.818  0.217  1.0
  Mo  Mo2  1  0.158  0.324  0.316  1.0
  Mo  Mo3  1  0.842  0.676  0.684  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.250  0.730  0.501  1.0
  C  C6  1  0.750  0.270  0.499  1.0
[/CIF]
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