The material structure described by Hf3Ti2(PbO3)5 crystallizes in the monoclinic Cm space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one O(3), one O(5), two equivalent O(8), and two equivalent O(9) atoms to form HfO6 octahedra that share  a cornercorner with one Hf(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Hf(2)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Hf site, Hf(2) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form HfO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, and corners with two equivalent Hf(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Hf site, Hf(3) is bonded to one O(2), one O(5), two equivalent O(10), and two equivalent O(6) atoms to form HfO6 octahedra that share  a cornercorner with one Hf(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Hf(2)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Hf(1)O6 octahedra,  a cornercorner with one Hf(2)O6 octahedra, corners with two equivalent Hf(3)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Hf(2)O6 octahedra,  a cornercorner with one Hf(3)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(8) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(10) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(6) atoms. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(7) atoms. In the fifth Pb site, Pb(5) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(7), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Hf(2), one Ti(1), and one Pb(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Hf(3), one Ti(2), and one Pb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Hf(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 Hf(2), one Ti(2), and one Pb(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(3), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Hf(3), one Ti(1), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ti(1), one Ti(2), one Pb(4), and one Pb(5) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Hf(1), one Ti(2), and one Pb(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Hf(1), one Hf(2), and one Pb(5) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Hf(2), one Hf(3), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3Ti2(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.192
_cell_length_b   9.192
_cell_length_c   7.105
_cell_angle_alpha   76.093
_cell_angle_beta   76.093
_cell_angle_gamma   36.757
_symmetry_Int_Tables_number   1
_cell_volume   347.548
_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
  Hf  Hf0  1  0.000  0.000  0.996  1.0
  Hf  Hf1  1  0.602  0.602  0.599  1.0
  Hf  Hf2  1  0.204  0.204  0.195  1.0
  Ti  Ti3  1  0.806  0.806  0.787  1.0
  Ti  Ti4  1  0.405  0.405  0.384  1.0
  Pb  Pb5  1  0.815  0.815  0.276  1.0
  Pb  Pb6  1  0.017  0.017  0.472  1.0
  Pb  Pb7  1  0.625  0.625  0.068  1.0
  Pb  Pb8  1  0.224  0.224  0.676  1.0
  Pb  Pb9  1  0.412  0.412  0.861  1.0
  O  O10  1  0.696  0.696  0.717  1.0
  O  O11  1  0.296  0.296  0.327  1.0
  O  O12  1  0.889  0.889  0.920  1.0
  O  O13  1  0.487  0.487  0.517  1.0
  O  O14  1  0.093  0.093  0.118  1.0
  O  O15  1  0.506  0.983  0.004  1.0
  O  O16  1  0.093  0.591  0.618  1.0
  O  O17  1  0.691  0.187  0.220  1.0
  O  O18  1  0.297  0.780  0.807  1.0
  O  O19  1  0.899  0.384  0.405  1.0
  O  O20  1  0.983  0.506  0.004  1.0
  O  O21  1  0.591  0.093  0.618  1.0
  O  O22  1  0.187  0.691  0.220  1.0
  O  O23  1  0.780  0.297  0.807  1.0
  O  O24  1  0.384  0.899  0.405  1.0
[/CIF]
.
The material structure described by Hf3Ti2(PbO3)5 crystallizes in the monoclinic Cm space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one O(3), one O(5), two equivalent O(8), and two equivalent O(9) atoms to form HfO6 octahedra that share  a cornercorner with one Hf(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Hf(2)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Hf site, Hf(2) is bonded to one O(1), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form HfO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, and corners with two equivalent Hf(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Hf site, Hf(3) is bonded to one O(2), one O(5), two equivalent O(10), and two equivalent O(6) atoms to form HfO6 octahedra that share  a cornercorner with one Hf(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Hf(2)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Hf(1)O6 octahedra,  a cornercorner with one Hf(2)O6 octahedra, corners with two equivalent Hf(3)O6 octahedra, and corners with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(7), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Hf(2)O6 octahedra,  a cornercorner with one Hf(3)O6 octahedra, corners with two equivalent Hf(1)O6 octahedra, and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(8) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(10) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(6) atoms. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(7) atoms. In the fifth Pb site, Pb(5) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(7), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Hf(2), one Ti(1), and one Pb(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Hf(3), one Ti(2), and one Pb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Hf(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 Hf(2), one Ti(2), and one Pb(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(3), and one Pb(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Hf(3), one Ti(1), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ti(1), one Ti(2), one Pb(4), and one Pb(5) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Hf(1), one Ti(2), and one Pb(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Hf(1), one Hf(2), and one Pb(5) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Hf(2), one Hf(3), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3Ti2(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.192
_cell_length_b   9.192
_cell_length_c   7.105
_cell_angle_alpha   76.093
_cell_angle_beta   76.093
_cell_angle_gamma   36.757
_symmetry_Int_Tables_number   1
_cell_volume   347.548
_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
  Hf  Hf0  1  0.000  0.000  0.996  1.0
  Hf  Hf1  1  0.602  0.602  0.599  1.0
  Hf  Hf2  1  0.204  0.204  0.195  1.0
  Ti  Ti3  1  0.806  0.806  0.787  1.0
  Ti  Ti4  1  0.405  0.405  0.384  1.0
  Pb  Pb5  1  0.815  0.815  0.276  1.0
  Pb  Pb6  1  0.017  0.017  0.472  1.0
  Pb  Pb7  1  0.625  0.625  0.068  1.0
  Pb  Pb8  1  0.224  0.224  0.676  1.0
  Pb  Pb9  1  0.412  0.412  0.861  1.0
  O  O10  1  0.696  0.696  0.717  1.0
  O  O11  1  0.296  0.296  0.327  1.0
  O  O12  1  0.889  0.889  0.920  1.0
  O  O13  1  0.487  0.487  0.517  1.0
  O  O14  1  0.093  0.093  0.118  1.0
  O  O15  1  0.506  0.983  0.004  1.0
  O  O16  1  0.093  0.591  0.618  1.0
  O  O17  1  0.691  0.187  0.220  1.0
  O  O18  1  0.297  0.780  0.807  1.0
  O  O19  1  0.899  0.384  0.405  1.0
  O  O20  1  0.983  0.506  0.004  1.0
  O  O21  1  0.591  0.093  0.618  1.0
  O  O22  1  0.187  0.691  0.220  1.0
  O  O23  1  0.780  0.297  0.807  1.0
  O  O24  1  0.384  0.899  0.405  1.0
[/CIF]
.