The material described by Lu4C7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one C(2), one C(3), two equivalent C(1), and three equivalent C(4) atoms to form distorted LuC7 octahedra that share corners with two equivalent Lu(1)C7 octahedra,  a cornercorner with one C(2)Lu4C trigonal bipyramid, and edges with five equivalent Lu(1)C7 octahedra. The corner-sharing octahedra are not tilted. In the second Lu site, Lu(2) is bonded in a 9-coordinate geometry to one C(1), two equivalent C(4), three equivalent C(2), and three equivalent C(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Lu(2) and four equivalent Lu(1) atoms to form CLu6 octahedra that share corners with two equivalent C(2)Lu4C trigonal bipyramids, edges with two equivalent C(1)Lu6 octahedra, and edges with four equivalent C(2)Lu4C trigonal bipyramids. In the second C site, C(2) is bonded to one Lu(1), three equivalent Lu(2), and one C(3) atom to form distorted CLu4C trigonal bipyramids that share  a cornercorner with one Lu(1)C7 octahedra,  a cornercorner with one C(1)Lu6 octahedra, corners with six equivalent C(2)Lu4C trigonal bipyramids, and edges with two equivalent C(1)Lu6 octahedra. The corner-sharing octahedral tilt angles range from 31-60°. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Lu(1), three equivalent Lu(2), one C(2), and one C(4) atom. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to two equivalent Lu(2), three equivalent Lu(1), and one C(3) atom. is represented by the CIF file [CIF]
data_Lu4C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.583
_cell_length_b   6.257
_cell_length_c   13.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.330
_symmetry_Int_Tables_number   1
_cell_volume   291.027
_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  0.634  0.259  0.946  1.0
  Lu  Lu1  1  0.366  0.241  0.446  1.0
  Lu  Lu2  1  0.366  0.741  0.054  1.0
  Lu  Lu3  1  0.634  0.759  0.554  1.0
  Lu  Lu4  1  0.942  0.339  0.660  1.0
  Lu  Lu5  1  0.058  0.161  0.160  1.0
  Lu  Lu6  1  0.058  0.661  0.340  1.0
  Lu  Lu7  1  0.942  0.839  0.840  1.0
  C  C8  1  0.000  0.500  0.500  1.0
  C  C9  1  0.000  0.000  0.000  1.0
  C  C10  1  0.536  0.076  0.786  1.0
  C  C11  1  0.464  0.424  0.286  1.0
  C  C12  1  0.464  0.924  0.214  1.0
  C  C13  1  0.536  0.576  0.714  1.0
  C  C14  1  0.623  0.455  0.198  1.0
  C  C15  1  0.377  0.045  0.698  1.0
  C  C16  1  0.732  0.951  0.396  1.0
  C  C17  1  0.268  0.549  0.896  1.0
  C  C18  1  0.268  0.049  0.604  1.0
  C  C19  1  0.732  0.451  0.104  1.0
  C  C20  1  0.623  0.955  0.302  1.0
  C  C21  1  0.377  0.545  0.802  1.0
[/CIF]
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The material described by Lu4C7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one C(2), one C(3), two equivalent C(1), and three equivalent C(4) atoms to form distorted LuC7 octahedra that share corners with two equivalent Lu(1)C7 octahedra,  a cornercorner with one C(2)Lu4C trigonal bipyramid, and edges with five equivalent Lu(1)C7 octahedra. The corner-sharing octahedra are not tilted. In the second Lu site, Lu(2) is bonded in a 9-coordinate geometry to one C(1), two equivalent C(4), three equivalent C(2), and three equivalent C(3) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Lu(2) and four equivalent Lu(1) atoms to form CLu6 octahedra that share corners with two equivalent C(2)Lu4C trigonal bipyramids, edges with two equivalent C(1)Lu6 octahedra, and edges with four equivalent C(2)Lu4C trigonal bipyramids. In the second C site, C(2) is bonded to one Lu(1), three equivalent Lu(2), and one C(3) atom to form distorted CLu4C trigonal bipyramids that share  a cornercorner with one Lu(1)C7 octahedra,  a cornercorner with one C(1)Lu6 octahedra, corners with six equivalent C(2)Lu4C trigonal bipyramids, and edges with two equivalent C(1)Lu6 octahedra. The corner-sharing octahedral tilt angles range from 31-60°. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Lu(1), three equivalent Lu(2), one C(2), and one C(4) atom. In the fourth C site, C(4) is bonded in a 6-coordinate geometry to two equivalent Lu(2), three equivalent Lu(1), and one C(3) atom. is represented by the CIF file [CIF]
data_Lu4C7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.583
_cell_length_b   6.257
_cell_length_c   13.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.330
_symmetry_Int_Tables_number   1
_cell_volume   291.027
_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  0.634  0.259  0.946  1.0
  Lu  Lu1  1  0.366  0.241  0.446  1.0
  Lu  Lu2  1  0.366  0.741  0.054  1.0
  Lu  Lu3  1  0.634  0.759  0.554  1.0
  Lu  Lu4  1  0.942  0.339  0.660  1.0
  Lu  Lu5  1  0.058  0.161  0.160  1.0
  Lu  Lu6  1  0.058  0.661  0.340  1.0
  Lu  Lu7  1  0.942  0.839  0.840  1.0
  C  C8  1  0.000  0.500  0.500  1.0
  C  C9  1  0.000  0.000  0.000  1.0
  C  C10  1  0.536  0.076  0.786  1.0
  C  C11  1  0.464  0.424  0.286  1.0
  C  C12  1  0.464  0.924  0.214  1.0
  C  C13  1  0.536  0.576  0.714  1.0
  C  C14  1  0.623  0.455  0.198  1.0
  C  C15  1  0.377  0.045  0.698  1.0
  C  C16  1  0.732  0.951  0.396  1.0
  C  C17  1  0.268  0.549  0.896  1.0
  C  C18  1  0.268  0.049  0.604  1.0
  C  C19  1  0.732  0.451  0.104  1.0
  C  C20  1  0.623  0.955  0.302  1.0
  C  C21  1  0.377  0.545  0.802  1.0
[/CIF]
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