The compound described by ZrTi(PbO3)2 crystallizes in the triclinic P1 space group. Zr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Ti(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Pb(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ti(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Zr(1) and one Pb(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.166
_cell_length_b   4.230
_cell_length_c   8.111
_cell_angle_alpha   89.198
_cell_angle_beta   89.543
_cell_angle_gamma   88.743
_symmetry_Int_Tables_number   1
_cell_volume   142.882
_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  0.536  0.539  0.266  1.0
  Ti  Ti1  1  0.510  0.516  0.766  1.0
  Pb  Pb2  1  0.992  0.984  0.985  1.0
  Pb  Pb3  1  0.988  0.982  0.509  1.0
  O  O4  1  0.047  0.587  0.287  1.0
  O  O5  1  0.067  0.581  0.778  1.0
  O  O6  1  0.571  0.592  0.011  1.0
  O  O7  1  0.569  0.587  0.538  1.0
  O  O8  1  0.566  0.059  0.286  1.0
  O  O9  1  0.563  0.086  0.778  1.0
[/CIF]
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The compound described by ZrTi(PbO3)2 crystallizes in the triclinic P1 space group. Zr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. Ti(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(2), and two equivalent O(6) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Pb(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ti(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Zr(1) and one Pb(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.166
_cell_length_b   4.230
_cell_length_c   8.111
_cell_angle_alpha   89.198
_cell_angle_beta   89.543
_cell_angle_gamma   88.743
_symmetry_Int_Tables_number   1
_cell_volume   142.882
_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  0.536  0.539  0.266  1.0
  Ti  Ti1  1  0.510  0.516  0.766  1.0
  Pb  Pb2  1  0.992  0.984  0.985  1.0
  Pb  Pb3  1  0.988  0.982  0.509  1.0
  O  O4  1  0.047  0.587  0.287  1.0
  O  O5  1  0.067  0.581  0.778  1.0
  O  O6  1  0.571  0.592  0.011  1.0
  O  O7  1  0.569  0.587  0.538  1.0
  O  O8  1  0.566  0.059  0.286  1.0
  O  O9  1  0.563  0.086  0.778  1.0
[/CIF]
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