The compound described by Lu2FeC4 crystallizes in the orthorhombic Ibam space group. Lu(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)Lu5C octahedra and edges with two equivalent Fe(1)C4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent C sites. In the first C site, C(1) is bonded to five equivalent Lu(1) and one C(2) atom to form distorted CLu5C octahedra that share corners with six equivalent C(1)Lu5C octahedra, corners with two equivalent Fe(1)C4 trigonal pyramids, and edges with seven equivalent C(1)Lu5C octahedra. The corner-sharing octahedral tilt angles range from 7-53°. In the second C site, C(2) is bonded in a 5-coordinate geometry to two equivalent Lu(1), two equivalent Fe(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   6.446
_cell_length_c   6.446
_cell_angle_alpha   70.379
_cell_angle_beta   67.506
_cell_angle_gamma   67.506
_symmetry_Int_Tables_number   1
_cell_volume   170.609
_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
  Lu  Lu0  1  0.146  0.200  0.509  1.0
  Lu  Lu1  1  0.854  0.800  0.491  1.0
  Lu  Lu2  1  0.646  0.509  0.200  1.0
  Lu  Lu3  1  0.354  0.491  0.800  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  0.370  0.788  0.472  1.0
  C  C7  1  0.630  0.212  0.528  1.0
  C  C8  1  0.870  0.472  0.788  1.0
  C  C9  1  0.130  0.528  0.212  1.0
  C  C10  1  0.422  0.909  0.246  1.0
  C  C11  1  0.578  0.091  0.754  1.0
  C  C12  1  0.922  0.246  0.909  1.0
  C  C13  1  0.078  0.754  0.091  1.0
[/CIF]
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The compound described by Lu2FeC4 crystallizes in the orthorhombic Ibam space group. Lu(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)Lu5C octahedra and edges with two equivalent Fe(1)C4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are two inequivalent C sites. In the first C site, C(1) is bonded to five equivalent Lu(1) and one C(2) atom to form distorted CLu5C octahedra that share corners with six equivalent C(1)Lu5C octahedra, corners with two equivalent Fe(1)C4 trigonal pyramids, and edges with seven equivalent C(1)Lu5C octahedra. The corner-sharing octahedral tilt angles range from 7-53°. In the second C site, C(2) is bonded in a 5-coordinate geometry to two equivalent Lu(1), two equivalent Fe(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2FeC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.933
_cell_length_b   6.446
_cell_length_c   6.446
_cell_angle_alpha   70.379
_cell_angle_beta   67.506
_cell_angle_gamma   67.506
_symmetry_Int_Tables_number   1
_cell_volume   170.609
_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
  Lu  Lu0  1  0.146  0.200  0.509  1.0
  Lu  Lu1  1  0.854  0.800  0.491  1.0
  Lu  Lu2  1  0.646  0.509  0.200  1.0
  Lu  Lu3  1  0.354  0.491  0.800  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  0.370  0.788  0.472  1.0
  C  C7  1  0.630  0.212  0.528  1.0
  C  C8  1  0.870  0.472  0.788  1.0
  C  C9  1  0.130  0.528  0.212  1.0
  C  C10  1  0.422  0.909  0.246  1.0
  C  C11  1  0.578  0.091  0.754  1.0
  C  C12  1  0.922  0.246  0.909  1.0
  C  C13  1  0.078  0.754  0.091  1.0
[/CIF]
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