The structure described by CaHf4(PbO3)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one Pb(2), one O(10), one O(3), one O(5), one O(7), and one O(9) atom. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(9) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Hf site, Hf(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(8) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 8-24°. In the third Hf site, Hf(3) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the fourth Hf site, Hf(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 8-24°. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(4), and one O(5) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Ca(1), one O(11), one O(2), one O(4), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to one O(12) and one O(6) atom. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(2), and one Pb(4) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(4), one Pb(2), and one Pb(4) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ca(1), one Hf(1), and one Hf(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Hf(2), one Hf(4), one Pb(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Hf(1), one Hf(3), and one Pb(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Hf(3), one Hf(4), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one Hf(3), one Hf(4), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(4), one Pb(2), and one Pb(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Ca(1), one Hf(1), and one Hf(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Hf(1), one Hf(3), and one Pb(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Hf(2), one Hf(4), one Pb(1), and one Pb(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Hf(1), one Hf(2), one Pb(1), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaHf4(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   8.395
_cell_length_c   6.060
_cell_angle_alpha   87.261
_cell_angle_beta   89.302
_cell_angle_gamma   89.464
_symmetry_Int_Tables_number   1
_cell_volume   310.077
_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
  Ca  Ca0  1  0.516  0.928  0.591  1.0
  Hf  Hf1  1  0.008  0.006  0.512  1.0
  Hf  Hf2  1  0.002  0.511  0.475  1.0
  Hf  Hf3  1  0.503  0.009  0.056  1.0
  Hf  Hf4  1  0.494  0.504  0.970  1.0
  Pb  Pb5  1  0.999  0.247  0.931  1.0
  Pb  Pb6  1  0.497  0.622  0.437  1.0
  Pb  Pb7  1  0.478  0.278  0.472  1.0
  Pb  Pb8  1  0.976  0.745  0.976  1.0
  O  O9  1  0.992  0.758  0.551  1.0
  O  O10  1  0.214  0.554  0.198  1.0
  O  O11  1  0.270  0.984  0.298  1.0
  O  O12  1  0.246  0.496  0.749  1.0
  O  O13  1  0.244  0.020  0.801  1.0
  O  O14  1  0.492  0.261  0.053  1.0
  O  O15  1  0.532  0.766  0.964  1.0
  O  O16  1  0.784  0.524  0.214  1.0
  O  O17  1  0.755  0.000  0.289  1.0
  O  O18  1  0.776  0.035  0.790  1.0
  O  O19  1  0.749  0.481  0.735  1.0
  O  O20  1  0.037  0.262  0.501  1.0
[/CIF]
.
The structure described by CaHf4(PbO3)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one Pb(2), one O(10), one O(3), one O(5), one O(7), and one O(9) atom. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(9) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the second Hf site, Hf(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(8) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 8-24°. In the third Hf site, Hf(3) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the fourth Hf site, Hf(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles range from 8-24°. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(4), and one O(5) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Ca(1), one O(11), one O(2), one O(4), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to one O(12) and one O(6) atom. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(2), and one Pb(4) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(4), one Pb(2), and one Pb(4) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ca(1), one Hf(1), and one Hf(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Hf(2), one Hf(4), one Pb(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Hf(1), one Hf(3), and one Pb(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Hf(3), one Hf(4), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one Hf(3), one Hf(4), and one Pb(4) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Hf(2), one Hf(4), one Pb(2), and one Pb(4) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Ca(1), one Hf(1), and one Hf(3) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Hf(1), one Hf(3), and one Pb(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Hf(2), one Hf(4), one Pb(1), and one Pb(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Hf(1), one Hf(2), one Pb(1), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaHf4(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.103
_cell_length_b   8.395
_cell_length_c   6.060
_cell_angle_alpha   87.261
_cell_angle_beta   89.302
_cell_angle_gamma   89.464
_symmetry_Int_Tables_number   1
_cell_volume   310.077
_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
  Ca  Ca0  1  0.516  0.928  0.591  1.0
  Hf  Hf1  1  0.008  0.006  0.512  1.0
  Hf  Hf2  1  0.002  0.511  0.475  1.0
  Hf  Hf3  1  0.503  0.009  0.056  1.0
  Hf  Hf4  1  0.494  0.504  0.970  1.0
  Pb  Pb5  1  0.999  0.247  0.931  1.0
  Pb  Pb6  1  0.497  0.622  0.437  1.0
  Pb  Pb7  1  0.478  0.278  0.472  1.0
  Pb  Pb8  1  0.976  0.745  0.976  1.0
  O  O9  1  0.992  0.758  0.551  1.0
  O  O10  1  0.214  0.554  0.198  1.0
  O  O11  1  0.270  0.984  0.298  1.0
  O  O12  1  0.246  0.496  0.749  1.0
  O  O13  1  0.244  0.020  0.801  1.0
  O  O14  1  0.492  0.261  0.053  1.0
  O  O15  1  0.532  0.766  0.964  1.0
  O  O16  1  0.784  0.524  0.214  1.0
  O  O17  1  0.755  0.000  0.289  1.0
  O  O18  1  0.776  0.035  0.790  1.0
  O  O19  1  0.749  0.481  0.735  1.0
  O  O20  1  0.037  0.262  0.501  1.0
[/CIF]
.