The material described by Tm2Mo2C3 crystallizes in the monoclinic C2/m space group. Tm(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 Tm(1) and two equivalent Mo(1) atoms to form CTm4Mo2 octahedra that share corners with twelve equivalent C(2)Tm3Mo3 octahedra, edges with two equivalent C(1)Tm4Mo2 octahedra, and faces with two equivalent C(2)Tm3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second C site, C(2) is bonded to three equivalent Tm(1) and three equivalent Mo(1) atoms to form CTm3Mo3 octahedra that share corners with six equivalent C(1)Tm4Mo2 octahedra, edges with six equivalent C(2)Tm3Mo3 octahedra, and  a faceface with one C(1)Tm4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. is represented by the CIF card [CIF]
data_Tm2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.362
_cell_length_b   5.649
_cell_length_c   5.887
_cell_angle_alpha   107.973
_cell_angle_beta   106.592
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.441
_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
  Tm  Tm0  1  0.615  0.818  0.230  1.0
  Tm  Tm1  1  0.385  0.182  0.770  1.0
  Mo  Mo2  1  0.851  0.630  0.703  1.0
  Mo  Mo3  1  0.149  0.370  0.297  1.0
  C  C4  1  0.000  0.500  0.000  1.0
  C  C5  1  0.270  0.746  0.541  1.0
  C  C6  1  0.730  0.254  0.459  1.0
[/CIF]
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The material described by Tm2Mo2C3 crystallizes in the monoclinic C2/m space group. Tm(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 Tm(1) and two equivalent Mo(1) atoms to form CTm4Mo2 octahedra that share corners with twelve equivalent C(2)Tm3Mo3 octahedra, edges with two equivalent C(1)Tm4Mo2 octahedra, and faces with two equivalent C(2)Tm3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second C site, C(2) is bonded to three equivalent Tm(1) and three equivalent Mo(1) atoms to form CTm3Mo3 octahedra that share corners with six equivalent C(1)Tm4Mo2 octahedra, edges with six equivalent C(2)Tm3Mo3 octahedra, and  a faceface with one C(1)Tm4Mo2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. is represented by the CIF card [CIF]
data_Tm2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.362
_cell_length_b   5.649
_cell_length_c   5.887
_cell_angle_alpha   107.973
_cell_angle_beta   106.592
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.441
_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
  Tm  Tm0  1  0.615  0.818  0.230  1.0
  Tm  Tm1  1  0.385  0.182  0.770  1.0
  Mo  Mo2  1  0.851  0.630  0.703  1.0
  Mo  Mo3  1  0.149  0.370  0.297  1.0
  C  C4  1  0.000  0.500  0.000  1.0
  C  C5  1  0.270  0.746  0.541  1.0
  C  C6  1  0.730  0.254  0.459  1.0
[/CIF]
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