The compound described by ZrTi(PbO3)2 crystallizes in the trigonal R3m space group. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1), one Ti(1), and one Pb(2) atom. is represented by the CIF card [CIF]
data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.866
_cell_length_b   5.866
_cell_length_c   5.866
_cell_angle_alpha   59.221
_cell_angle_beta   59.221
_cell_angle_gamma   59.221
_symmetry_Int_Tables_number   1
_cell_volume   140.212
_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
  Zr  Zr0  1  0.013  0.013  0.013  1.0
  Ti  Ti1  1  0.513  0.513  0.513  1.0
  Pb  Pb2  1  0.781  0.781  0.781  1.0
  Pb  Pb3  1  0.284  0.284  0.284  1.0
  O  O4  1  0.743  0.743  0.244  1.0
  O  O5  1  0.259  0.259  0.729  1.0
  O  O6  1  0.244  0.743  0.743  1.0
  O  O7  1  0.729  0.259  0.259  1.0
  O  O8  1  0.743  0.244  0.743  1.0
  O  O9  1  0.259  0.729  0.259  1.0
[/CIF]
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The compound described by ZrTi(PbO3)2 crystallizes in the trigonal R3m space group. Zr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1), one Ti(1), and one Pb(2) atom. is represented by the CIF card [CIF]
data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.866
_cell_length_b   5.866
_cell_length_c   5.866
_cell_angle_alpha   59.221
_cell_angle_beta   59.221
_cell_angle_gamma   59.221
_symmetry_Int_Tables_number   1
_cell_volume   140.212
_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
  Zr  Zr0  1  0.013  0.013  0.013  1.0
  Ti  Ti1  1  0.513  0.513  0.513  1.0
  Pb  Pb2  1  0.781  0.781  0.781  1.0
  Pb  Pb3  1  0.284  0.284  0.284  1.0
  O  O4  1  0.743  0.743  0.244  1.0
  O  O5  1  0.259  0.259  0.729  1.0
  O  O6  1  0.244  0.743  0.743  1.0
  O  O7  1  0.729  0.259  0.259  1.0
  O  O8  1  0.743  0.244  0.743  1.0
  O  O9  1  0.259  0.729  0.259  1.0
[/CIF]
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