The crystal structure described by Lu4Ni2C5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one C(3), two equivalent C(2), and four equivalent C(1) atoms. In the second Lu site, Lu(2) is bonded to eight equivalent Ni(1) and four equivalent C(2) atoms to form distorted LuNi8C4 cuboctahedra that share corners with four equivalent C(1)Lu5NiC pentagonal bipyramids, edges with four equivalent Lu(2)Ni8C4 cuboctahedra, edges with four equivalent C(1)Lu5NiC pentagonal bipyramids, and faces with four equivalent Lu(2)Ni8C4 cuboctahedra. In the third Lu site, Lu(3) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing LuC6 octahedra. The corner-sharing octahedral tilt angles are 1°. Ni(1) is bonded in a 3-coordinate geometry to four equivalent Lu(2), one C(1), and two equivalent C(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Lu(3), four equivalent Lu(1), one Ni(1), and one C(2) atom to form distorted CLu5NiC pentagonal bipyramids that share corners with two equivalent Lu(2)Ni8C4 cuboctahedra, corners with five equivalent C(1)Lu5NiC pentagonal bipyramids, edges with two equivalent Lu(2)Ni8C4 cuboctahedra, edges with four equivalent C(3)Lu6 octahedra, and edges with four equivalent C(1)Lu5NiC pentagonal bipyramids. In the second C site, C(2) is bonded in a 7-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Ni(1), and one C(1) atom. In the third C site, C(3) is bonded to two equivalent Lu(1) and four equivalent Lu(3) atoms to form CLu6 octahedra that share corners with four equivalent C(3)Lu6 octahedra, edges with four equivalent C(3)Lu6 octahedra, and edges with eight equivalent C(1)Lu5NiC pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF file [CIF]
data_Lu4Ni2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.502
_cell_length_b   3.624
_cell_length_c   11.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.508
_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  0.500  0.500  0.203  1.0
  Lu  Lu1  1  0.500  0.500  0.797  1.0
  Lu  Lu2  1  0.500  0.212  0.500  1.0
  Lu  Lu3  1  0.000  0.999  0.000  1.0
  Ni  Ni4  1  0.000  0.701  0.384  1.0
  Ni  Ni5  1  0.000  0.701  0.616  1.0
  C  C6  1  0.000  0.998  0.228  1.0
  C  C7  1  0.000  0.998  0.772  1.0
  C  C8  1  0.000  0.201  0.333  1.0
  C  C9  1  0.000  0.201  0.667  1.0
  C  C10  1  0.500  0.490  0.000  1.0
[/CIF]
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The crystal structure described by Lu4Ni2C5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one C(3), two equivalent C(2), and four equivalent C(1) atoms. In the second Lu site, Lu(2) is bonded to eight equivalent Ni(1) and four equivalent C(2) atoms to form distorted LuNi8C4 cuboctahedra that share corners with four equivalent C(1)Lu5NiC pentagonal bipyramids, edges with four equivalent Lu(2)Ni8C4 cuboctahedra, edges with four equivalent C(1)Lu5NiC pentagonal bipyramids, and faces with four equivalent Lu(2)Ni8C4 cuboctahedra. In the third Lu site, Lu(3) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing LuC6 octahedra. The corner-sharing octahedral tilt angles are 1°. Ni(1) is bonded in a 3-coordinate geometry to four equivalent Lu(2), one C(1), and two equivalent C(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Lu(3), four equivalent Lu(1), one Ni(1), and one C(2) atom to form distorted CLu5NiC pentagonal bipyramids that share corners with two equivalent Lu(2)Ni8C4 cuboctahedra, corners with five equivalent C(1)Lu5NiC pentagonal bipyramids, edges with two equivalent Lu(2)Ni8C4 cuboctahedra, edges with four equivalent C(3)Lu6 octahedra, and edges with four equivalent C(1)Lu5NiC pentagonal bipyramids. In the second C site, C(2) is bonded in a 7-coordinate geometry to two equivalent Lu(1), two equivalent Lu(2), two equivalent Ni(1), and one C(1) atom. In the third C site, C(3) is bonded to two equivalent Lu(1) and four equivalent Lu(3) atoms to form CLu6 octahedra that share corners with four equivalent C(3)Lu6 octahedra, edges with four equivalent C(3)Lu6 octahedra, and edges with eight equivalent C(1)Lu5NiC pentagonal bipyramids. The corner-sharing octahedral tilt angles are 1°. is represented by the CIF file [CIF]
data_Lu4Ni2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.502
_cell_length_b   3.624
_cell_length_c   11.310
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.508
_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  0.500  0.500  0.203  1.0
  Lu  Lu1  1  0.500  0.500  0.797  1.0
  Lu  Lu2  1  0.500  0.212  0.500  1.0
  Lu  Lu3  1  0.000  0.999  0.000  1.0
  Ni  Ni4  1  0.000  0.701  0.384  1.0
  Ni  Ni5  1  0.000  0.701  0.616  1.0
  C  C6  1  0.000  0.998  0.228  1.0
  C  C7  1  0.000  0.998  0.772  1.0
  C  C8  1  0.000  0.201  0.333  1.0
  C  C9  1  0.000  0.201  0.667  1.0
  C  C10  1  0.500  0.490  0.000  1.0
[/CIF]
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