The material structure described by Y4C5 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one C(2), two equivalent C(1), and two equivalent C(3) atoms to form YC5 trigonal bipyramids that share corners with two equivalent C(2)Y5C octahedra, corners with four equivalent Y(1)C5 trigonal bipyramids, and edges with two equivalent Y(1)C5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one C(1), four equivalent C(2), and four equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Y(2) and four equivalent Y(1) atoms to form CY6 octahedra that share corners with four equivalent C(2)Y5C octahedra, edges with two equivalent C(1)Y6 octahedra, and edges with four equivalent C(2)Y5C octahedra. The corner-sharing octahedral tilt angles are 61°. In the second C site, C(2) is bonded to one Y(1), four equivalent Y(2), and one C(3) atom to form CY5C octahedra that share corners with two equivalent C(1)Y6 octahedra, corners with four equivalent C(2)Y5C octahedra, corners with two equivalent Y(1)C5 trigonal bipyramids, edges with two equivalent C(1)Y6 octahedra, and edges with four equivalent C(2)Y5C octahedra. The corner-sharing octahedral tilt angles range from 29-61°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent Y(1), four equivalent Y(2), and one C(2) atom. is represented by the CIF file [CIF]
data_Y4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.668
_cell_length_b   6.591
_cell_length_c   11.963
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.259
_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
  Y  Y0  1  0.000  0.256  0.543  1.0
  Y  Y1  1  0.000  0.744  0.457  1.0
  Y  Y2  1  0.000  0.756  0.957  1.0
  Y  Y3  1  0.000  0.244  0.043  1.0
  Y  Y4  1  0.500  0.108  0.804  1.0
  Y  Y5  1  0.500  0.892  0.196  1.0
  Y  Y6  1  0.500  0.608  0.696  1.0
  Y  Y7  1  0.500  0.392  0.304  1.0
  C  C8  1  0.500  0.500  0.500  1.0
  C  C9  1  0.500  0.000  0.000  1.0
  C  C10  1  0.000  0.362  0.735  1.0
  C  C11  1  0.000  0.638  0.265  1.0
  C  C12  1  0.000  0.862  0.765  1.0
  C  C13  1  0.000  0.138  0.235  1.0
  C  C14  1  0.000  0.401  0.844  1.0
  C  C15  1  0.000  0.599  0.156  1.0
  C  C16  1  0.000  0.099  0.344  1.0
  C  C17  1  0.000  0.901  0.656  1.0
[/CIF]
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The material structure described by Y4C5 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one C(2), two equivalent C(1), and two equivalent C(3) atoms to form YC5 trigonal bipyramids that share corners with two equivalent C(2)Y5C octahedra, corners with four equivalent Y(1)C5 trigonal bipyramids, and edges with two equivalent Y(1)C5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. In the second Y site, Y(2) is bonded in a 9-coordinate geometry to one C(1), four equivalent C(2), and four equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Y(2) and four equivalent Y(1) atoms to form CY6 octahedra that share corners with four equivalent C(2)Y5C octahedra, edges with two equivalent C(1)Y6 octahedra, and edges with four equivalent C(2)Y5C octahedra. The corner-sharing octahedral tilt angles are 61°. In the second C site, C(2) is bonded to one Y(1), four equivalent Y(2), and one C(3) atom to form CY5C octahedra that share corners with two equivalent C(1)Y6 octahedra, corners with four equivalent C(2)Y5C octahedra, corners with two equivalent Y(1)C5 trigonal bipyramids, edges with two equivalent C(1)Y6 octahedra, and edges with four equivalent C(2)Y5C octahedra. The corner-sharing octahedral tilt angles range from 29-61°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent Y(1), four equivalent Y(2), and one C(2) atom. is represented by the CIF file [CIF]
data_Y4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.668
_cell_length_b   6.591
_cell_length_c   11.963
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.259
_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
  Y  Y0  1  0.000  0.256  0.543  1.0
  Y  Y1  1  0.000  0.744  0.457  1.0
  Y  Y2  1  0.000  0.756  0.957  1.0
  Y  Y3  1  0.000  0.244  0.043  1.0
  Y  Y4  1  0.500  0.108  0.804  1.0
  Y  Y5  1  0.500  0.892  0.196  1.0
  Y  Y6  1  0.500  0.608  0.696  1.0
  Y  Y7  1  0.500  0.392  0.304  1.0
  C  C8  1  0.500  0.500  0.500  1.0
  C  C9  1  0.500  0.000  0.000  1.0
  C  C10  1  0.000  0.362  0.735  1.0
  C  C11  1  0.000  0.638  0.265  1.0
  C  C12  1  0.000  0.862  0.765  1.0
  C  C13  1  0.000  0.138  0.235  1.0
  C  C14  1  0.000  0.401  0.844  1.0
  C  C15  1  0.000  0.599  0.156  1.0
  C  C16  1  0.000  0.099  0.344  1.0
  C  C17  1  0.000  0.901  0.656  1.0
[/CIF]
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