The structure described by Y2FeC4 crystallizes in the orthorhombic Ibam space group. Y(1) is bonded in a 7-coordinate geometry to two equivalent C(2) and five equivalent C(1) atoms. Fe(1) is bonded to four equivalent C(2) atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent C(1)Y5C octahedra and edges with two equivalent Fe(1)C4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent C sites. In the first C site, C(1) is bonded to five equivalent Y(1) and one C(2) atom to form distorted CY5C octahedra that share corners with six equivalent C(1)Y5C octahedra, corners with two equivalent Fe(1)C4 trigonal pyramids, and edges with seven equivalent C(1)Y5C octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second C site, C(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Fe(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Y2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.044
_cell_length_b   6.621
_cell_length_c   6.621
_cell_angle_alpha   68.867
_cell_angle_beta   67.612
_cell_angle_gamma   67.612
_symmetry_Int_Tables_number   1
_cell_volume   182.954
_cell_formula_units_Z   2
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
  Y  Y0  1  0.146  0.197  0.512  1.0
  Y  Y1  1  0.854  0.803  0.488  1.0
  Y  Y2  1  0.646  0.512  0.197  1.0
  Y  Y3  1  0.354  0.488  0.803  1.0
  Fe  Fe4  1  0.750  0.000  0.000  1.0
  Fe  Fe5  1  0.250  0.000  0.000  1.0
  C  C6  1  0.372  0.792  0.465  1.0
  C  C7  1  0.628  0.208  0.535  1.0
  C  C8  1  0.872  0.465  0.792  1.0
  C  C9  1  0.128  0.535  0.208  1.0
  C  C10  1  0.423  0.912  0.242  1.0
  C  C11  1  0.577  0.088  0.758  1.0
  C  C12  1  0.923  0.242  0.912  1.0
  C  C13  1  0.077  0.758  0.088  1.0
[/CIF]
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The structure described by Y2FeC4 crystallizes in the orthorhombic Ibam space group. Y(1) is bonded in a 7-coordinate geometry to two equivalent C(2) and five equivalent C(1) atoms. Fe(1) is bonded to four equivalent C(2) atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent C(1)Y5C octahedra and edges with two equivalent Fe(1)C4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent C sites. In the first C site, C(1) is bonded to five equivalent Y(1) and one C(2) atom to form distorted CY5C octahedra that share corners with six equivalent C(1)Y5C octahedra, corners with two equivalent Fe(1)C4 trigonal pyramids, and edges with seven equivalent C(1)Y5C octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the second C site, C(2) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Fe(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Y2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.044
_cell_length_b   6.621
_cell_length_c   6.621
_cell_angle_alpha   68.867
_cell_angle_beta   67.612
_cell_angle_gamma   67.612
_symmetry_Int_Tables_number   1
_cell_volume   182.954
_cell_formula_units_Z   2
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
  Y  Y0  1  0.146  0.197  0.512  1.0
  Y  Y1  1  0.854  0.803  0.488  1.0
  Y  Y2  1  0.646  0.512  0.197  1.0
  Y  Y3  1  0.354  0.488  0.803  1.0
  Fe  Fe4  1  0.750  0.000  0.000  1.0
  Fe  Fe5  1  0.250  0.000  0.000  1.0
  C  C6  1  0.372  0.792  0.465  1.0
  C  C7  1  0.628  0.208  0.535  1.0
  C  C8  1  0.872  0.465  0.792  1.0
  C  C9  1  0.128  0.535  0.208  1.0
  C  C10  1  0.423  0.912  0.242  1.0
  C  C11  1  0.577  0.088  0.758  1.0
  C  C12  1  0.923  0.242  0.912  1.0
  C  C13  1  0.077  0.758  0.088  1.0
[/CIF]
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