The material structure described by ZrTi(PbO3)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the tetragonal P4mm space group. Zr(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted corner-sharing ZrO6 octahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Ti(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Ti(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.693
_cell_length_b   5.693
_cell_length_c   4.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.587
_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  0.500  0.500  0.546  1.0
  Ti  Ti1  1  0.000  0.000  0.538  1.0
  Pb  Pb2  1  0.500  0.000  0.985  1.0
  Pb  Pb3  1  0.000  0.500  0.985  1.0
  O  O4  1  0.759  0.241  0.636  1.0
  O  O5  1  0.241  0.241  0.636  1.0
  O  O6  1  0.759  0.759  0.636  1.0
  O  O7  1  0.241  0.759  0.636  1.0
  O  O8  1  0.000  0.000  0.142  1.0
  O  O9  1  0.500  0.500  0.098  1.0
[/CIF]
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The material structure described by ZrTi(PbO3)2 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the tetragonal P4mm space group. Zr(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted corner-sharing ZrO6 octahedra. The corner-sharing octahedra are not tilted. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zr(1), one Ti(1), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Ti(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.693
_cell_length_b   5.693
_cell_length_c   4.430
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.587
_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  0.500  0.500  0.546  1.0
  Ti  Ti1  1  0.000  0.000  0.538  1.0
  Pb  Pb2  1  0.500  0.000  0.985  1.0
  Pb  Pb3  1  0.000  0.500  0.985  1.0
  O  O4  1  0.759  0.241  0.636  1.0
  O  O5  1  0.241  0.241  0.636  1.0
  O  O6  1  0.759  0.759  0.636  1.0
  O  O7  1  0.241  0.759  0.636  1.0
  O  O8  1  0.000  0.000  0.142  1.0
  O  O9  1  0.500  0.500  0.098  1.0
[/CIF]
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