The material described by YbAl3C3 crystallizes in the hexagonal P6_3mc space group. Yb(1) is bonded to three equivalent C(2) and three equivalent C(3) atoms to form distorted YbC6 octahedra that share corners with three equivalent Al(1)C4 tetrahedra, corners with three equivalent Al(2)C4 tetrahedra, edges with six equivalent Yb(1)C6 octahedra, edges with three equivalent Al(1)C4 tetrahedra, and edges with three equivalent Al(2)C4 tetrahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one C(1) and three equivalent C(2) atoms to form AlC4 tetrahedra that share corners with three equivalent Yb(1)C6 octahedra,  a cornercorner with one Al(2)C4 tetrahedra, corners with six equivalent Al(1)C4 tetrahedra, and edges with three equivalent Yb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Al site, Al(2) is bonded to one C(1) and three equivalent C(3) atoms to form AlC4 tetrahedra that share corners with three equivalent Yb(1)C6 octahedra,  a cornercorner with one Al(1)C4 tetrahedra, corners with six equivalent Al(2)C4 tetrahedra, and edges with three equivalent Yb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the third Al site, Al(3) is bonded in a distorted trigonal planar geometry to one C(2) and three equivalent C(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Al(1), one Al(2), and three equivalent Al(3) atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C site, C(2) is bonded in a 7-coordinate geometry to three equivalent Yb(1), one Al(3), and three equivalent Al(1) atoms. In the third C site, C(3) is bonded in a 6-coordinate geometry to three equivalent Yb(1) and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Yb(AlC)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.427
_cell_length_b   3.427
_cell_length_c   17.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.857
_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
  Yb  Yb0  1  0.000  0.000  0.499  1.0
  Yb  Yb1  1  0.000  0.000  0.999  1.0
  Al  Al2  1  0.667  0.333  0.632  1.0
  Al  Al3  1  0.333  0.667  0.365  1.0
  Al  Al4  1  0.333  0.667  0.132  1.0
  Al  Al5  1  0.667  0.333  0.865  1.0
  Al  Al6  1  0.667  0.333  0.245  1.0
  Al  Al7  1  0.333  0.667  0.745  1.0
  C  C8  1  0.667  0.333  0.749  1.0
  C  C9  1  0.333  0.667  0.249  1.0
  C  C10  1  0.667  0.333  0.100  1.0
  C  C11  1  0.333  0.667  0.901  1.0
  C  C12  1  0.333  0.667  0.600  1.0
  C  C13  1  0.667  0.333  0.401  1.0
[/CIF]
.
The material described by YbAl3C3 crystallizes in the hexagonal P6_3mc space group. Yb(1) is bonded to three equivalent C(2) and three equivalent C(3) atoms to form distorted YbC6 octahedra that share corners with three equivalent Al(1)C4 tetrahedra, corners with three equivalent Al(2)C4 tetrahedra, edges with six equivalent Yb(1)C6 octahedra, edges with three equivalent Al(1)C4 tetrahedra, and edges with three equivalent Al(2)C4 tetrahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one C(1) and three equivalent C(2) atoms to form AlC4 tetrahedra that share corners with three equivalent Yb(1)C6 octahedra,  a cornercorner with one Al(2)C4 tetrahedra, corners with six equivalent Al(1)C4 tetrahedra, and edges with three equivalent Yb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Al site, Al(2) is bonded to one C(1) and three equivalent C(3) atoms to form AlC4 tetrahedra that share corners with three equivalent Yb(1)C6 octahedra,  a cornercorner with one Al(1)C4 tetrahedra, corners with six equivalent Al(2)C4 tetrahedra, and edges with three equivalent Yb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the third Al site, Al(3) is bonded in a distorted trigonal planar geometry to one C(2) and three equivalent C(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one Al(1), one Al(2), and three equivalent Al(3) atoms to form corner-sharing CAl5 trigonal bipyramids. In the second C site, C(2) is bonded in a 7-coordinate geometry to three equivalent Yb(1), one Al(3), and three equivalent Al(1) atoms. In the third C site, C(3) is bonded in a 6-coordinate geometry to three equivalent Yb(1) and three equivalent Al(2) atoms. is represented by the CIF file [CIF]
data_Yb(AlC)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.427
_cell_length_b   3.427
_cell_length_c   17.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.857
_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
  Yb  Yb0  1  0.000  0.000  0.499  1.0
  Yb  Yb1  1  0.000  0.000  0.999  1.0
  Al  Al2  1  0.667  0.333  0.632  1.0
  Al  Al3  1  0.333  0.667  0.365  1.0
  Al  Al4  1  0.333  0.667  0.132  1.0
  Al  Al5  1  0.667  0.333  0.865  1.0
  Al  Al6  1  0.667  0.333  0.245  1.0
  Al  Al7  1  0.333  0.667  0.745  1.0
  C  C8  1  0.667  0.333  0.749  1.0
  C  C9  1  0.333  0.667  0.249  1.0
  C  C10  1  0.667  0.333  0.100  1.0
  C  C11  1  0.333  0.667  0.901  1.0
  C  C12  1  0.333  0.667  0.600  1.0
  C  C13  1  0.667  0.333  0.401  1.0
[/CIF]
.