The compound described by Ho2CuTiO6 crystallizes in the hexagonal P-6m2 space group. Ho(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and three equivalent O(3) atoms to form corner-sharing TiO5 trigonal bipyramids. Cu(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form corner-sharing CuO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ho(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Ho(1) and one Cu(1) atom to form OHo3Cu tetrahedra that share corners with seven equivalent O(2)Ho3Cu tetrahedra and edges with three equivalent O(4)Ho2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ho(1) and three equivalent Cu(1) atoms to form OHo2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Ho2Cu3 trigonal bipyramids and edges with six equivalent O(2)Ho3Cu tetrahedra. is represented by the CIF card [CIF]
data_Ho2TiCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.596
_cell_length_b   3.595
_cell_length_c   11.363
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   127.219
_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
  Ho  Ho0  1  1.000  1.000  0.271  1.0
  Ho  Ho1  1  1.000  1.000  0.725  1.0
  Ti  Ti2  1  0.667  0.333  0.998  1.0
  Cu  Cu3  1  0.334  0.667  0.498  1.0
  O  O4  1  0.667  0.333  0.162  1.0
  O  O5  1  0.333  0.667  0.667  1.0
  O  O6  1  0.000  0.000  0.998  1.0
  O  O7  1  1.000  1.000  0.498  1.0
  O  O8  1  0.333  0.667  0.329  1.0
  O  O9  1  0.667  0.333  0.834  1.0
[/CIF]
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The compound described by Ho2CuTiO6 crystallizes in the hexagonal P-6m2 space group. Ho(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1) and three equivalent O(3) atoms to form corner-sharing TiO5 trigonal bipyramids. Cu(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form corner-sharing CuO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ho(1) and one Ti(1) atom. In the second O site, O(2) is bonded to three equivalent Ho(1) and one Cu(1) atom to form OHo3Cu tetrahedra that share corners with seven equivalent O(2)Ho3Cu tetrahedra and edges with three equivalent O(4)Ho2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ho(1) and three equivalent Cu(1) atoms to form OHo2Cu3 trigonal bipyramids that share corners with six equivalent O(4)Ho2Cu3 trigonal bipyramids and edges with six equivalent O(2)Ho3Cu tetrahedra. is represented by the CIF card [CIF]
data_Ho2TiCuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.596
_cell_length_b   3.595
_cell_length_c   11.363
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   127.219
_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
  Ho  Ho0  1  1.000  1.000  0.271  1.0
  Ho  Ho1  1  1.000  1.000  0.725  1.0
  Ti  Ti2  1  0.667  0.333  0.998  1.0
  Cu  Cu3  1  0.334  0.667  0.498  1.0
  O  O4  1  0.667  0.333  0.162  1.0
  O  O5  1  0.333  0.667  0.667  1.0
  O  O6  1  0.000  0.000  0.998  1.0
  O  O7  1  1.000  1.000  0.498  1.0
  O  O8  1  0.333  0.667  0.329  1.0
  O  O9  1  0.667  0.333  0.834  1.0
[/CIF]
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