The material described by Sm2Mo2C3 crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 5-coordinate 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 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 Sm(1) and two equivalent Mo(1) atoms to form CSm4Mo2 octahedra that share corners with twelve equivalent C(2)Sm3Mo3 octahedra, edges with two equivalent C(1)Sm4Mo2 octahedra, and faces with two equivalent C(2)Sm3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the second C site, C(2) is bonded to three equivalent Sm(1) and three equivalent Mo(1) atoms to form CSm3Mo3 octahedra that share corners with six equivalent C(1)Sm4Mo2 octahedra, edges with six equivalent C(2)Sm3Mo3 octahedra, and  a faceface with one C(1)Sm4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. is represented by the CIF card [CIF]
data_Sm2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.459
_cell_length_b   5.807
_cell_length_c   5.931
_cell_angle_alpha   105.443
_cell_angle_beta   106.953
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.451
_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
  Sm  Sm0  1  0.390  0.176  0.779  1.0
  Sm  Sm1  1  0.610  0.824  0.221  1.0
  Mo  Mo2  1  0.153  0.384  0.305  1.0
  Mo  Mo3  1  0.847  0.616  0.695  1.0
  C  C4  1  0.000  0.500  0.000  1.0
  C  C5  1  0.276  0.732  0.552  1.0
  C  C6  1  0.724  0.268  0.448  1.0
[/CIF]
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The material described by Sm2Mo2C3 crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 5-coordinate 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 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 Sm(1) and two equivalent Mo(1) atoms to form CSm4Mo2 octahedra that share corners with twelve equivalent C(2)Sm3Mo3 octahedra, edges with two equivalent C(1)Sm4Mo2 octahedra, and faces with two equivalent C(2)Sm3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the second C site, C(2) is bonded to three equivalent Sm(1) and three equivalent Mo(1) atoms to form CSm3Mo3 octahedra that share corners with six equivalent C(1)Sm4Mo2 octahedra, edges with six equivalent C(2)Sm3Mo3 octahedra, and  a faceface with one C(1)Sm4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. is represented by the CIF card [CIF]
data_Sm2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.459
_cell_length_b   5.807
_cell_length_c   5.931
_cell_angle_alpha   105.443
_cell_angle_beta   106.953
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.451
_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
  Sm  Sm0  1  0.390  0.176  0.779  1.0
  Sm  Sm1  1  0.610  0.824  0.221  1.0
  Mo  Mo2  1  0.153  0.384  0.305  1.0
  Mo  Mo3  1  0.847  0.616  0.695  1.0
  C  C4  1  0.000  0.500  0.000  1.0
  C  C5  1  0.276  0.732  0.552  1.0
  C  C6  1  0.724  0.268  0.448  1.0
[/CIF]
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