The crystal structure described by Zr3Ti(PbO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(7) atom. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(8), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom. Ti(1) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one O(1), one O(11), one O(5), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(6) atom. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(3), one O(5), and one O(8) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(11), one O(4), one O(6), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zr(2), one Zr(3), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Ti(1), and one Pb(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Zr(1), one Ti(1), one Pb(1), one Pb(2), and one Pb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), 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(2), one Zr(3), and one Pb(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Zr(2), one Ti(1), one Pb(1), one Pb(3), and one Pb(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(3) atom. is represented by the CIF card [CIF]
data_Zr3Ti(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   5.933
_cell_length_c   10.174
_cell_angle_alpha   106.639
_cell_angle_beta   89.980
_cell_angle_gamma   119.630
_symmetry_Int_Tables_number   1
_cell_volume   290.700
_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  0.649  0.413  0.886  1.0
  Zr  Zr1  1  0.146  0.914  0.378  1.0
  Zr  Zr2  1  0.897  0.161  0.632  1.0
  Ti  Ti3  1  0.400  0.667  0.133  1.0
  Pb  Pb4  1  0.801  0.343  0.260  1.0
  Pb  Pb5  1  0.306  0.834  0.777  1.0
  Pb  Pb6  1  0.554  0.591  0.515  1.0
  Pb  Pb7  1  0.058  0.098  0.021  1.0
  O  O8  1  0.753  0.754  0.231  1.0
  O  O9  1  0.276  0.255  0.741  1.0
  O  O10  1  0.968  0.007  0.484  1.0
  O  O11  1  0.472  0.511  0.993  1.0
  O  O12  1  0.965  0.505  0.487  1.0
  O  O13  1  0.467  0.985  0.002  1.0
  O  O14  1  0.003  0.482  0.022  1.0
  O  O15  1  0.491  0.975  0.516  1.0
  O  O16  1  0.258  0.728  0.258  1.0
  O  O17  1  0.751  0.223  0.772  1.0
  O  O18  1  0.280  0.263  0.240  1.0
  O  O19  1  0.779  0.751  0.743  1.0
[/CIF]
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The crystal structure described by Zr3Ti(PbO3)4 crystallizes in the triclinic P1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(7) atom. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(3), one O(5), one O(8), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(8) atom. Ti(1) is bonded in a 2-coordinate geometry to one O(1), one O(11), one O(4), one O(6), one O(7), and one O(9) atom. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one O(1), one O(11), one O(5), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(10), one O(2), and one O(6) atom. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(11), one O(12), one O(3), one O(5), and one O(8) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(11), one O(4), one O(6), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zr(2), one Ti(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zr(2), one Zr(3), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Ti(1), and one Pb(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Zr(1), one Ti(1), one Pb(1), one Pb(2), and one Pb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Zr(1), 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(2), one Zr(3), and one Pb(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Zr(2) and one Ti(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zr(1), one Zr(3), and one Pb(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Zr(2), one Ti(1), one Pb(1), one Pb(3), and one Pb(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(3), and one Pb(3) atom. is represented by the CIF card [CIF]
data_Zr3Ti(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   5.933
_cell_length_c   10.174
_cell_angle_alpha   106.639
_cell_angle_beta   89.980
_cell_angle_gamma   119.630
_symmetry_Int_Tables_number   1
_cell_volume   290.700
_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  0.649  0.413  0.886  1.0
  Zr  Zr1  1  0.146  0.914  0.378  1.0
  Zr  Zr2  1  0.897  0.161  0.632  1.0
  Ti  Ti3  1  0.400  0.667  0.133  1.0
  Pb  Pb4  1  0.801  0.343  0.260  1.0
  Pb  Pb5  1  0.306  0.834  0.777  1.0
  Pb  Pb6  1  0.554  0.591  0.515  1.0
  Pb  Pb7  1  0.058  0.098  0.021  1.0
  O  O8  1  0.753  0.754  0.231  1.0
  O  O9  1  0.276  0.255  0.741  1.0
  O  O10  1  0.968  0.007  0.484  1.0
  O  O11  1  0.472  0.511  0.993  1.0
  O  O12  1  0.965  0.505  0.487  1.0
  O  O13  1  0.467  0.985  0.002  1.0
  O  O14  1  0.003  0.482  0.022  1.0
  O  O15  1  0.491  0.975  0.516  1.0
  O  O16  1  0.258  0.728  0.258  1.0
  O  O17  1  0.751  0.223  0.772  1.0
  O  O18  1  0.280  0.263  0.240  1.0
  O  O19  1  0.779  0.751  0.743  1.0
[/CIF]
.