The material structure described by ZrTi2(PbO3)3 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Pmm2 space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Zr(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Pb(1), and one Pb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Zr(1), one Ti(1), and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(1) and two equivalent Pb(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Zr(1) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi2(PbO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.990
_cell_length_b   4.492
_cell_length_c   11.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.605
_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  0.000  0.536  0.000  1.0
  Ti  Ti1  1  0.000  0.530  0.338  1.0
  Ti  Ti2  1  0.000  0.530  0.662  1.0
  Pb  Pb3  1  0.500  0.978  0.825  1.0
  Pb  Pb4  1  0.500  0.978  0.175  1.0
  Pb  Pb5  1  0.500  0.976  0.500  1.0
  O  O6  1  0.500  0.647  0.000  1.0
  O  O7  1  0.500  0.624  0.338  1.0
  O  O8  1  0.500  0.624  0.662  1.0
  O  O9  1  0.000  0.631  0.823  1.0
  O  O10  1  0.000  0.631  0.177  1.0
  O  O11  1  0.000  0.634  0.500  1.0
  O  O12  1  0.000  0.098  0.000  1.0
  O  O13  1  0.000  0.139  0.337  1.0
  O  O14  1  0.000  0.139  0.663  1.0
[/CIF]
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The material structure described by ZrTi2(PbO3)3 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Pmm2 space group. Zr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Zr(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Pb(1), and one Pb(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Zr(1), one Ti(1), and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(1) and two equivalent Pb(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Zr(1) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrTi2(PbO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.990
_cell_length_b   4.492
_cell_length_c   11.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.605
_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  0.000  0.536  0.000  1.0
  Ti  Ti1  1  0.000  0.530  0.338  1.0
  Ti  Ti2  1  0.000  0.530  0.662  1.0
  Pb  Pb3  1  0.500  0.978  0.825  1.0
  Pb  Pb4  1  0.500  0.978  0.175  1.0
  Pb  Pb5  1  0.500  0.976  0.500  1.0
  O  O6  1  0.500  0.647  0.000  1.0
  O  O7  1  0.500  0.624  0.338  1.0
  O  O8  1  0.500  0.624  0.662  1.0
  O  O9  1  0.000  0.631  0.823  1.0
  O  O10  1  0.000  0.631  0.177  1.0
  O  O11  1  0.000  0.634  0.500  1.0
  O  O12  1  0.000  0.098  0.000  1.0
  O  O13  1  0.000  0.139  0.337  1.0
  O  O14  1  0.000  0.139  0.663  1.0
[/CIF]
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