The compound described by Yb4Ni2C5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(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 Yb site, Yb(2) is bonded to eight equivalent Ni(1) and four equivalent C(2) atoms to form a mixture of distorted face and edge-sharing YbNi8C4 cuboctahedra. In the third Yb site, Yb(3) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing YbC6 octahedra. The corner-sharing octahedral tilt angles are 1°. Ni(1) is bonded in a 3-coordinate geometry to four equivalent Yb(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 in a 7-coordinate geometry to one Yb(3), four equivalent Yb(1), one Ni(1), and one C(2) atom. In the second C site, C(2) is bonded in a 7-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), two equivalent Ni(1), and one C(1) atom. In the third C site, C(3) is bonded to two equivalent Yb(1) and four equivalent Yb(3) atoms to form a mixture of corner and edge-sharing CYb6 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb4Ni2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.615
_cell_length_b   3.741
_cell_length_c   11.902
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.952
_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
  Yb  Yb0  1  0.500  0.521  0.209  1.0
  Yb  Yb1  1  0.500  0.521  0.791  1.0
  Yb  Yb2  1  0.500  0.203  0.500  1.0
  Yb  Yb3  1  0.000  0.992  0.000  1.0
  Ni  Ni4  1  0.000  0.690  0.387  1.0
  Ni  Ni5  1  0.000  0.690  0.613  1.0
  C  C6  1  0.000  0.996  0.247  1.0
  C  C7  1  0.000  0.996  0.753  1.0
  C  C8  1  0.000  0.204  0.337  1.0
  C  C9  1  0.000  0.204  0.663  1.0
  C  C10  1  0.500  0.484  0.000  1.0
[/CIF]
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The compound described by Yb4Ni2C5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(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 Yb site, Yb(2) is bonded to eight equivalent Ni(1) and four equivalent C(2) atoms to form a mixture of distorted face and edge-sharing YbNi8C4 cuboctahedra. In the third Yb site, Yb(3) is bonded to two equivalent C(1) and four equivalent C(3) atoms to form a mixture of corner and edge-sharing YbC6 octahedra. The corner-sharing octahedral tilt angles are 1°. Ni(1) is bonded in a 3-coordinate geometry to four equivalent Yb(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 in a 7-coordinate geometry to one Yb(3), four equivalent Yb(1), one Ni(1), and one C(2) atom. In the second C site, C(2) is bonded in a 7-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), two equivalent Ni(1), and one C(1) atom. In the third C site, C(3) is bonded to two equivalent Yb(1) and four equivalent Yb(3) atoms to form a mixture of corner and edge-sharing CYb6 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb4Ni2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.615
_cell_length_b   3.741
_cell_length_c   11.902
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.952
_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
  Yb  Yb0  1  0.500  0.521  0.209  1.0
  Yb  Yb1  1  0.500  0.521  0.791  1.0
  Yb  Yb2  1  0.500  0.203  0.500  1.0
  Yb  Yb3  1  0.000  0.992  0.000  1.0
  Ni  Ni4  1  0.000  0.690  0.387  1.0
  Ni  Ni5  1  0.000  0.690  0.613  1.0
  C  C6  1  0.000  0.996  0.247  1.0
  C  C7  1  0.000  0.996  0.753  1.0
  C  C8  1  0.000  0.204  0.337  1.0
  C  C9  1  0.000  0.204  0.663  1.0
  C  C10  1  0.500  0.484  0.000  1.0
[/CIF]
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