The material structure described by Yb2FeC4 crystallizes in the orthorhombic Ibam space group. Yb(1) is bonded in a 7-coordinate geometry to four equivalent C(2) and five equivalent C(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to five equivalent Yb(1) and one C(2) atom to form a mixture of distorted corner and edge-sharing CYb5C octahedra. The corner-sharing octahedral tilt angles range from 8-58°. In the second C site, C(2) is bonded in a 7-coordinate geometry to four equivalent Yb(1), two equivalent Fe(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Yb2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   6.769
_cell_angle_alpha   136.673
_cell_angle_beta   112.925
_cell_angle_gamma   83.283
_symmetry_Int_Tables_number   1
_cell_volume   189.125
_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
  Yb  Yb0  1  0.189  0.355  0.834  1.0
  Yb  Yb1  1  0.811  0.645  0.166  1.0
  Yb  Yb2  1  0.522  0.855  0.666  1.0
  Yb  Yb3  1  0.478  0.145  0.334  1.0
  Fe  Fe4  1  0.000  0.250  0.250  1.0
  Fe  Fe5  1  0.000  0.750  0.750  1.0
  C  C6  1  0.796  0.128  0.668  1.0
  C  C7  1  0.204  0.872  0.332  1.0
  C  C8  1  0.460  0.628  0.832  1.0
  C  C9  1  0.540  0.372  0.168  1.0
  C  C10  1  0.911  0.080  0.831  1.0
  C  C11  1  0.089  0.920  0.169  1.0
  C  C12  1  0.249  0.580  0.669  1.0
  C  C13  1  0.751  0.420  0.331  1.0
[/CIF]
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The material structure described by Yb2FeC4 crystallizes in the orthorhombic Ibam space group. Yb(1) is bonded in a 7-coordinate geometry to four equivalent C(2) and five equivalent C(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to five equivalent Yb(1) and one C(2) atom to form a mixture of distorted corner and edge-sharing CYb5C octahedra. The corner-sharing octahedral tilt angles range from 8-58°. In the second C site, C(2) is bonded in a 7-coordinate geometry to four equivalent Yb(1), two equivalent Fe(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Yb2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   6.769
_cell_length_c   6.769
_cell_angle_alpha   136.673
_cell_angle_beta   112.925
_cell_angle_gamma   83.283
_symmetry_Int_Tables_number   1
_cell_volume   189.125
_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
  Yb  Yb0  1  0.189  0.355  0.834  1.0
  Yb  Yb1  1  0.811  0.645  0.166  1.0
  Yb  Yb2  1  0.522  0.855  0.666  1.0
  Yb  Yb3  1  0.478  0.145  0.334  1.0
  Fe  Fe4  1  0.000  0.250  0.250  1.0
  Fe  Fe5  1  0.000  0.750  0.750  1.0
  C  C6  1  0.796  0.128  0.668  1.0
  C  C7  1  0.204  0.872  0.332  1.0
  C  C8  1  0.460  0.628  0.832  1.0
  C  C9  1  0.540  0.372  0.168  1.0
  C  C10  1  0.911  0.080  0.831  1.0
  C  C11  1  0.089  0.920  0.169  1.0
  C  C12  1  0.249  0.580  0.669  1.0
  C  C13  1  0.751  0.420  0.331  1.0
[/CIF]
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