The compound described by HoTi2ZnO6 crystallizes in the orthorhombic Pmn2_1 space group. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ho(1), two equivalent Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ho(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ho(1), two equivalent Ti(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a tetrahedral geometry to one Ho(1), two equivalent Ti(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_HoTi2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.495
_cell_length_c   7.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.344
_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  0.017  0.677  0.000  1.0
  Ho  Ho1  1  0.517  0.323  0.500  1.0
  Ti  Ti2  1  0.003  0.232  0.748  1.0
  Ti  Ti3  1  0.003  0.232  0.252  1.0
  Ti  Ti4  1  0.503  0.768  0.248  1.0
  Ti  Ti5  1  0.503  0.768  0.752  1.0
  Zn  Zn6  1  0.496  0.233  0.000  1.0
  Zn  Zn7  1  0.996  0.767  0.500  1.0
  O  O8  1  0.108  0.201  0.500  1.0
  O  O9  1  0.189  0.943  0.810  1.0
  O  O10  1  0.189  0.943  0.190  1.0
  O  O11  1  0.312  0.442  0.811  1.0
  O  O12  1  0.312  0.442  0.189  1.0
  O  O13  1  0.372  0.716  0.500  1.0
  O  O14  1  0.608  0.799  0.000  1.0
  O  O15  1  0.689  0.057  0.310  1.0
  O  O16  1  0.689  0.057  0.690  1.0
  O  O17  1  0.812  0.558  0.689  1.0
  O  O18  1  0.812  0.558  0.311  1.0
  O  O19  1  0.872  0.284  0.000  1.0
[/CIF]
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The compound described by HoTi2ZnO6 crystallizes in the orthorhombic Pmn2_1 space group. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ho(1), two equivalent Ti(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ho(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ho(1), two equivalent Ti(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a tetrahedral geometry to one Ho(1), two equivalent Ti(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_HoTi2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.273
_cell_length_b   5.495
_cell_length_c   7.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.344
_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  0.017  0.677  0.000  1.0
  Ho  Ho1  1  0.517  0.323  0.500  1.0
  Ti  Ti2  1  0.003  0.232  0.748  1.0
  Ti  Ti3  1  0.003  0.232  0.252  1.0
  Ti  Ti4  1  0.503  0.768  0.248  1.0
  Ti  Ti5  1  0.503  0.768  0.752  1.0
  Zn  Zn6  1  0.496  0.233  0.000  1.0
  Zn  Zn7  1  0.996  0.767  0.500  1.0
  O  O8  1  0.108  0.201  0.500  1.0
  O  O9  1  0.189  0.943  0.810  1.0
  O  O10  1  0.189  0.943  0.190  1.0
  O  O11  1  0.312  0.442  0.811  1.0
  O  O12  1  0.312  0.442  0.189  1.0
  O  O13  1  0.372  0.716  0.500  1.0
  O  O14  1  0.608  0.799  0.000  1.0
  O  O15  1  0.689  0.057  0.310  1.0
  O  O16  1  0.689  0.057  0.690  1.0
  O  O17  1  0.812  0.558  0.689  1.0
  O  O18  1  0.812  0.558  0.311  1.0
  O  O19  1  0.872  0.284  0.000  1.0
[/CIF]
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