The compound described by Zr3Ti2(PbO3)5 is Brookite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(6), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form ZrO6 octahedra that share  a cornercorner with one Zr(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. In the second Zr site, Zr(2) is bonded to one O(10), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with two equivalent Zr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Zr site, Zr(3) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(4) atoms to form ZrO6 octahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(7), one O(9), two equivalent O(4), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Ti site, Ti(2) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Zr(3)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(9) and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(10) and two equivalent O(5) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(2) atoms. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one O(8) and two equivalent O(3) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(2), and one Pb(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one Pb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(3), and one Pb(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(3), one Ti(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(1), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zr(3), one Ti(2), and one Pb(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Zr(1), one Ti(1), and one Pb(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(2), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Ti2(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.202
_cell_length_b   9.202
_cell_length_c   7.301
_cell_angle_alpha   75.246
_cell_angle_beta   75.246
_cell_angle_gamma   37.014
_symmetry_Int_Tables_number   1
_cell_volume   358.513
_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  0.999  0.999  0.972  1.0
  Zr  Zr1  1  0.599  0.599  0.572  1.0
  Zr  Zr2  1  0.201  0.201  0.170  1.0
  Ti  Ti3  1  0.802  0.802  0.761  1.0
  Ti  Ti4  1  0.403  0.403  0.362  1.0
  Pb  Pb5  1  0.799  0.799  0.220  1.0
  Pb  Pb6  1  0.394  0.394  0.823  1.0
  Pb  Pb7  1  0.993  0.993  0.437  1.0
  Pb  Pb8  1  0.607  0.607  0.022  1.0
  Pb  Pb9  1  0.208  0.208  0.625  1.0
  O  O10  1  0.698  0.195  0.214  1.0
  O  O11  1  0.315  0.791  0.805  1.0
  O  O12  1  0.915  0.397  0.401  1.0
  O  O13  1  0.516  0.990  0.993  1.0
  O  O14  1  0.099  0.599  0.606  1.0
  O  O15  1  0.195  0.698  0.214  1.0
  O  O16  1  0.791  0.315  0.805  1.0
  O  O17  1  0.397  0.915  0.401  1.0
  O  O18  1  0.990  0.516  0.993  1.0
  O  O19  1  0.599  0.099  0.606  1.0
  O  O20  1  0.092  0.092  0.116  1.0
  O  O21  1  0.701  0.701  0.710  1.0
  O  O22  1  0.302  0.302  0.312  1.0
  O  O23  1  0.894  0.894  0.898  1.0
  O  O24  1  0.491  0.491  0.503  1.0
[/CIF]
.
The compound described by Zr3Ti2(PbO3)5 is Brookite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(6), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form ZrO6 octahedra that share  a cornercorner with one Zr(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. In the second Zr site, Zr(2) is bonded to one O(10), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with two equivalent Zr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third Zr site, Zr(3) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(4) atoms to form ZrO6 octahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(7), one O(9), two equivalent O(4), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O6 octahedra, corners with two equivalent Zr(3)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Ti site, Ti(2) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Zr(2)O6 octahedra,  a cornercorner with one Zr(3)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(9) and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(10) and two equivalent O(5) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(2) atoms. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one O(8) and two equivalent O(3) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(1), one Ti(2), and one Pb(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Zr(1), one Zr(2), and one Pb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zr(2), one Zr(3), and one Pb(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(3), one Ti(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(1), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Zr(3), one Ti(2), and one Pb(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Zr(1), one Ti(1), and one Pb(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(2), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Ti2(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.202
_cell_length_b   9.202
_cell_length_c   7.301
_cell_angle_alpha   75.246
_cell_angle_beta   75.246
_cell_angle_gamma   37.014
_symmetry_Int_Tables_number   1
_cell_volume   358.513
_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  0.999  0.999  0.972  1.0
  Zr  Zr1  1  0.599  0.599  0.572  1.0
  Zr  Zr2  1  0.201  0.201  0.170  1.0
  Ti  Ti3  1  0.802  0.802  0.761  1.0
  Ti  Ti4  1  0.403  0.403  0.362  1.0
  Pb  Pb5  1  0.799  0.799  0.220  1.0
  Pb  Pb6  1  0.394  0.394  0.823  1.0
  Pb  Pb7  1  0.993  0.993  0.437  1.0
  Pb  Pb8  1  0.607  0.607  0.022  1.0
  Pb  Pb9  1  0.208  0.208  0.625  1.0
  O  O10  1  0.698  0.195  0.214  1.0
  O  O11  1  0.315  0.791  0.805  1.0
  O  O12  1  0.915  0.397  0.401  1.0
  O  O13  1  0.516  0.990  0.993  1.0
  O  O14  1  0.099  0.599  0.606  1.0
  O  O15  1  0.195  0.698  0.214  1.0
  O  O16  1  0.791  0.315  0.805  1.0
  O  O17  1  0.397  0.915  0.401  1.0
  O  O18  1  0.990  0.516  0.993  1.0
  O  O19  1  0.599  0.099  0.606  1.0
  O  O20  1  0.092  0.092  0.116  1.0
  O  O21  1  0.701  0.701  0.710  1.0
  O  O22  1  0.302  0.302  0.312  1.0
  O  O23  1  0.894  0.894  0.898  1.0
  O  O24  1  0.491  0.491  0.503  1.0
[/CIF]
.