The structure described by Er2Mo2C3 crystallizes in the monoclinic C2/m space group. Er(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. Mo(1) is bonded in a distorted see-saw-like geometry to one C(2) and three equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Er(1) and three equivalent Mo(1) atoms to form CEr3Mo3 octahedra that share corners with three equivalent C(2)Er4Mo2 octahedra, edges with three equivalent C(2)Er4Mo2 octahedra, and edges with six equivalent C(1)Er3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. In the second C site, C(2) is bonded to four equivalent Er(1) and two equivalent Mo(1) atoms to form CEr4Mo2 octahedra that share corners with six equivalent C(1)Er3Mo3 octahedra, edges with two equivalent C(2)Er4Mo2 octahedra, and edges with six equivalent C(1)Er3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. is represented by the CIF card [CIF]
data_Er2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.313
_cell_length_b   5.662
_cell_length_c   6.034
_cell_angle_alpha   110.980
_cell_angle_beta   105.936
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.032
_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
  Er  Er0  1  0.389  0.174  0.779  1.0
  Er  Er1  1  0.611  0.826  0.221  1.0
  Mo  Mo2  1  0.156  0.327  0.313  1.0
  Mo  Mo3  1  0.844  0.673  0.687  1.0
  C  C4  1  0.752  0.265  0.504  1.0
  C  C5  1  0.248  0.735  0.496  1.0
  C  C6  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Er2Mo2C3 crystallizes in the monoclinic C2/m space group. Er(1) is bonded to two equivalent C(2) and three equivalent C(1) atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. Mo(1) is bonded in a distorted see-saw-like geometry to one C(2) and three equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Er(1) and three equivalent Mo(1) atoms to form CEr3Mo3 octahedra that share corners with three equivalent C(2)Er4Mo2 octahedra, edges with three equivalent C(2)Er4Mo2 octahedra, and edges with six equivalent C(1)Er3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. In the second C site, C(2) is bonded to four equivalent Er(1) and two equivalent Mo(1) atoms to form CEr4Mo2 octahedra that share corners with six equivalent C(1)Er3Mo3 octahedra, edges with two equivalent C(2)Er4Mo2 octahedra, and edges with six equivalent C(1)Er3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 10-28°. is represented by the CIF card [CIF]
data_Er2Mo2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.313
_cell_length_b   5.662
_cell_length_c   6.034
_cell_angle_alpha   110.980
_cell_angle_beta   105.936
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   101.032
_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
  Er  Er0  1  0.389  0.174  0.779  1.0
  Er  Er1  1  0.611  0.826  0.221  1.0
  Mo  Mo2  1  0.156  0.327  0.313  1.0
  Mo  Mo3  1  0.844  0.673  0.687  1.0
  C  C4  1  0.752  0.265  0.504  1.0
  C  C5  1  0.248  0.735  0.496  1.0
  C  C6  1  0.000  0.000  0.000  1.0
[/CIF]
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