The structure described by Lu2Fe17C3 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(7), and one C(2) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Lu(1), one Fe(1), and one Fe(7) atom. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Fe(6), one Fe(7), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to two equivalent Fe(5), two equivalent Fe(6), and one C(2) atom. In the fourth Fe site, Fe(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(3), one Fe(6), and one C(1) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(5) atoms. In the seventh Fe site, Fe(7) is bonded in a body-centered cubic geometry to two equivalent Lu(1), two equivalent Fe(1), and four equivalent Fe(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted square co-planar geometry to two equivalent Fe(2) and two equivalent Fe(5) atoms. In the second C site, C(2) is bonded in a 2-coordinate geometry to two equivalent Lu(1), two equivalent Fe(3), and two equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_Lu2Fe17C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   6.985
_cell_length_c   4.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   208.655
_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
  Lu  Lu0  1  0.658  0.658  0.658  1.0
  Lu  Lu1  1  0.342  0.342  0.342  1.0
  Fe  Fe2  1  0.904  0.904  0.904  1.0
  Fe  Fe3  1  0.096  0.096  0.096  1.0
  Fe  Fe4  1  0.000  0.717  0.283  1.0
  Fe  Fe5  1  0.283  0.000  0.717  1.0
  Fe  Fe6  1  0.717  0.283  0.000  1.0
  Fe  Fe7  1  0.000  0.283  0.717  1.0
  Fe  Fe8  1  0.717  0.000  0.283  1.0
  Fe  Fe9  1  0.283  0.717  0.000  1.0
  Fe  Fe10  1  0.345  0.345  0.853  1.0
  Fe  Fe11  1  0.853  0.345  0.345  1.0
  Fe  Fe12  1  0.345  0.853  0.345  1.0
  Fe  Fe13  1  0.655  0.147  0.655  1.0
  Fe  Fe14  1  0.147  0.655  0.655  1.0
  Fe  Fe15  1  0.655  0.655  0.147  1.0
  Fe  Fe16  1  0.500  0.000  0.000  1.0
  Fe  Fe17  1  0.000  0.500  0.000  1.0
  Fe  Fe18  1  0.000  0.000  0.500  1.0
  C  C19  1  0.000  0.500  0.500  1.0
  C  C20  1  0.500  0.000  0.500  1.0
  C  C21  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by Lu2Fe17C3 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(7), and one C(2) atom. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Lu(1), one Fe(1), and one Fe(7) atom. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one Fe(6), one Fe(7), and one C(1) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to two equivalent Fe(5), two equivalent Fe(6), and one C(2) atom. In the fourth Fe site, Fe(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth Fe site, Fe(5) is bonded in a single-bond geometry to one Fe(3), one Fe(6), and one C(1) atom. In the sixth Fe site, Fe(6) is bonded in a 6-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(5) atoms. In the seventh Fe site, Fe(7) is bonded in a body-centered cubic geometry to two equivalent Lu(1), two equivalent Fe(1), and four equivalent Fe(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted square co-planar geometry to two equivalent Fe(2) and two equivalent Fe(5) atoms. In the second C site, C(2) is bonded in a 2-coordinate geometry to two equivalent Lu(1), two equivalent Fe(3), and two equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_Lu2Fe17C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.985
_cell_length_b   6.985
_cell_length_c   4.939
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   208.655
_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
  Lu  Lu0  1  0.658  0.658  0.658  1.0
  Lu  Lu1  1  0.342  0.342  0.342  1.0
  Fe  Fe2  1  0.904  0.904  0.904  1.0
  Fe  Fe3  1  0.096  0.096  0.096  1.0
  Fe  Fe4  1  0.000  0.717  0.283  1.0
  Fe  Fe5  1  0.283  0.000  0.717  1.0
  Fe  Fe6  1  0.717  0.283  0.000  1.0
  Fe  Fe7  1  0.000  0.283  0.717  1.0
  Fe  Fe8  1  0.717  0.000  0.283  1.0
  Fe  Fe9  1  0.283  0.717  0.000  1.0
  Fe  Fe10  1  0.345  0.345  0.853  1.0
  Fe  Fe11  1  0.853  0.345  0.345  1.0
  Fe  Fe12  1  0.345  0.853  0.345  1.0
  Fe  Fe13  1  0.655  0.147  0.655  1.0
  Fe  Fe14  1  0.147  0.655  0.655  1.0
  Fe  Fe15  1  0.655  0.655  0.147  1.0
  Fe  Fe16  1  0.500  0.000  0.000  1.0
  Fe  Fe17  1  0.000  0.500  0.000  1.0
  Fe  Fe18  1  0.000  0.000  0.500  1.0
  C  C19  1  0.000  0.500  0.500  1.0
  C  C20  1  0.500  0.000  0.500  1.0
  C  C21  1  0.500  0.500  0.000  1.0
[/CIF]
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