The structure described by Ho4C5 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one C(2), two equivalent C(1), and two equivalent C(3) atoms to form HoC5 trigonal bipyramids that share corners with two equivalent C(2)Ho5C octahedra, corners with four equivalent Ho(1)C5 trigonal bipyramids, and edges with two equivalent Ho(1)C5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. In the second Ho site, Ho(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 Ho(2) and four equivalent Ho(1) atoms to form CHo6 octahedra that share corners with four equivalent C(2)Ho5C octahedra, edges with two equivalent C(1)Ho6 octahedra, and edges with four equivalent C(2)Ho5C octahedra. The corner-sharing octahedral tilt angles are 61°. In the second C site, C(2) is bonded to one Ho(1), four equivalent Ho(2), and one C(3) atom to form CHo5C octahedra that share corners with two equivalent C(1)Ho6 octahedra, corners with four equivalent C(2)Ho5C octahedra, corners with two equivalent Ho(1)C5 trigonal bipyramids, edges with two equivalent C(1)Ho6 octahedra, and edges with four equivalent C(2)Ho5C 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 Ho(1), four equivalent Ho(2), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.624
_cell_length_b   6.527
_cell_length_c   11.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.755
_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
  Ho  Ho0  1  0.000  0.257  0.542  1.0
  Ho  Ho1  1  0.000  0.743  0.458  1.0
  Ho  Ho2  1  0.000  0.757  0.958  1.0
  Ho  Ho3  1  0.000  0.243  0.042  1.0
  Ho  Ho4  1  0.500  0.107  0.804  1.0
  Ho  Ho5  1  0.500  0.893  0.196  1.0
  Ho  Ho6  1  0.500  0.607  0.696  1.0
  Ho  Ho7  1  0.500  0.393  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  0.402  0.844  1.0
  C  C15  1  0.000  0.598  0.156  1.0
  C  C16  1  0.000  0.098  0.344  1.0
  C  C17  1  0.000  0.902  0.656  1.0
[/CIF]
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The structure described by Ho4C5 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one C(2), two equivalent C(1), and two equivalent C(3) atoms to form HoC5 trigonal bipyramids that share corners with two equivalent C(2)Ho5C octahedra, corners with four equivalent Ho(1)C5 trigonal bipyramids, and edges with two equivalent Ho(1)C5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. In the second Ho site, Ho(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 Ho(2) and four equivalent Ho(1) atoms to form CHo6 octahedra that share corners with four equivalent C(2)Ho5C octahedra, edges with two equivalent C(1)Ho6 octahedra, and edges with four equivalent C(2)Ho5C octahedra. The corner-sharing octahedral tilt angles are 61°. In the second C site, C(2) is bonded to one Ho(1), four equivalent Ho(2), and one C(3) atom to form CHo5C octahedra that share corners with two equivalent C(1)Ho6 octahedra, corners with four equivalent C(2)Ho5C octahedra, corners with two equivalent Ho(1)C5 trigonal bipyramids, edges with two equivalent C(1)Ho6 octahedra, and edges with four equivalent C(2)Ho5C 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 Ho(1), four equivalent Ho(2), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.624
_cell_length_b   6.527
_cell_length_c   11.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.755
_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
  Ho  Ho0  1  0.000  0.257  0.542  1.0
  Ho  Ho1  1  0.000  0.743  0.458  1.0
  Ho  Ho2  1  0.000  0.757  0.958  1.0
  Ho  Ho3  1  0.000  0.243  0.042  1.0
  Ho  Ho4  1  0.500  0.107  0.804  1.0
  Ho  Ho5  1  0.500  0.893  0.196  1.0
  Ho  Ho6  1  0.500  0.607  0.696  1.0
  Ho  Ho7  1  0.500  0.393  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  0.402  0.844  1.0
  C  C15  1  0.000  0.598  0.156  1.0
  C  C16  1  0.000  0.098  0.344  1.0
  C  C17  1  0.000  0.902  0.656  1.0
[/CIF]
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