The crystal structure described by Ho3ScO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Ho(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted HoO6 pentagonal pyramids that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent Ho(1)O6 pentagonal pyramids,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and edges with four equivalent Ho(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Ho(1)O6 pentagonal pyramids and edges with six equivalent Ho(1)O6 pentagonal pyramids. In the second Sc site, Sc(2) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent Ho(1)O6 pentagonal pyramids and edges with six equivalent Ho(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to three equivalent Ho(1) and one Sc(1) atom. In the second O site, O(2) is bonded to three equivalent Ho(1) and one Sc(2) atom to form a mixture of edge and corner-sharing OHo3Sc trigonal pyramids. is represented by the CIF card [CIF]
data_Ho3ScO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.525
_cell_length_b   6.525
_cell_length_c   6.525
_cell_angle_alpha   92.038
_cell_angle_beta   92.037
_cell_angle_gamma   92.038
_symmetry_Int_Tables_number   1
_cell_volume   277.313
_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  0.253  0.068  0.561  1.0
  Ho  Ho1  1  0.068  0.561  0.253  1.0
  Ho  Ho2  1  0.561  0.253  0.068  1.0
  Ho  Ho3  1  0.747  0.932  0.439  1.0
  Ho  Ho4  1  0.932  0.439  0.747  1.0
  Ho  Ho5  1  0.439  0.747  0.932  1.0
  Sc  Sc6  1  0.500  0.500  0.500  1.0
  Sc  Sc7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.406  0.537  0.192  1.0
  O  O9  1  0.537  0.192  0.406  1.0
  O  O10  1  0.192  0.406  0.537  1.0
  O  O11  1  0.594  0.463  0.808  1.0
  O  O12  1  0.463  0.808  0.594  1.0
  O  O13  1  0.808  0.594  0.463  1.0
  O  O14  1  0.930  0.087  0.693  1.0
  O  O15  1  0.087  0.693  0.930  1.0
  O  O16  1  0.307  0.070  0.913  1.0
  O  O17  1  0.913  0.307  0.070  1.0
  O  O18  1  0.070  0.913  0.307  1.0
  O  O19  1  0.693  0.930  0.087  1.0
[/CIF]
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The crystal structure described by Ho3ScO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Ho(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted HoO6 pentagonal pyramids that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent Ho(1)O6 pentagonal pyramids,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and edges with four equivalent Ho(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Ho(1)O6 pentagonal pyramids and edges with six equivalent Ho(1)O6 pentagonal pyramids. In the second Sc site, Sc(2) is bonded to six equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent Ho(1)O6 pentagonal pyramids and edges with six equivalent Ho(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to three equivalent Ho(1) and one Sc(1) atom. In the second O site, O(2) is bonded to three equivalent Ho(1) and one Sc(2) atom to form a mixture of edge and corner-sharing OHo3Sc trigonal pyramids. is represented by the CIF card [CIF]
data_Ho3ScO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.525
_cell_length_b   6.525
_cell_length_c   6.525
_cell_angle_alpha   92.038
_cell_angle_beta   92.037
_cell_angle_gamma   92.038
_symmetry_Int_Tables_number   1
_cell_volume   277.313
_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  0.253  0.068  0.561  1.0
  Ho  Ho1  1  0.068  0.561  0.253  1.0
  Ho  Ho2  1  0.561  0.253  0.068  1.0
  Ho  Ho3  1  0.747  0.932  0.439  1.0
  Ho  Ho4  1  0.932  0.439  0.747  1.0
  Ho  Ho5  1  0.439  0.747  0.932  1.0
  Sc  Sc6  1  0.500  0.500  0.500  1.0
  Sc  Sc7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.406  0.537  0.192  1.0
  O  O9  1  0.537  0.192  0.406  1.0
  O  O10  1  0.192  0.406  0.537  1.0
  O  O11  1  0.594  0.463  0.808  1.0
  O  O12  1  0.463  0.808  0.594  1.0
  O  O13  1  0.808  0.594  0.463  1.0
  O  O14  1  0.930  0.087  0.693  1.0
  O  O15  1  0.087  0.693  0.930  1.0
  O  O16  1  0.307  0.070  0.913  1.0
  O  O17  1  0.913  0.307  0.070  1.0
  O  O18  1  0.070  0.913  0.307  1.0
  O  O19  1  0.693  0.930  0.087  1.0
[/CIF]
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