The crystal structure described by Zr2Pb4Sb2O13 crystallizes in the orthorhombic Imm2 space group. Zr(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Pb(1)O7 hexagonal pyramids, and edges with four equivalent Pb(2)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(2), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted PbO7 hexagonal pyramids that share  a cornercorner with one Pb(1)O7 hexagonal pyramid, corners with two equivalent Pb(2)O7 hexagonal pyramids,  an edgeedge with one Pb(1)O7 hexagonal pyramid, edges with two equivalent Pb(2)O7 hexagonal pyramids, edges with two equivalent Zr(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Pb site, Pb(2) is bonded to one O(1), one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted PbO7 hexagonal pyramids that share  a cornercorner with one Pb(2)O7 hexagonal pyramid, corners with two equivalent Pb(1)O7 hexagonal pyramids,  an edgeedge with one Pb(2)O7 hexagonal pyramid, edges with two equivalent Pb(1)O7 hexagonal pyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Zr(1)O6 octahedra. Sb(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with two equivalent Pb(2)O7 hexagonal pyramids, and edges with four equivalent Pb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 42-44°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Pb(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zr(1), one Pb(1), one Pb(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Pb(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Pb(1) and two equivalent Sb(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Zr(1), one Pb(1), one Pb(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a tetrahedral geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Zr2Sb2Pb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.662
_cell_length_b   7.662
_cell_length_c   7.662
_cell_angle_alpha   120.357
_cell_angle_beta   119.861
_cell_angle_gamma   89.811
_symmetry_Int_Tables_number   1
_cell_volume   317.525
_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  0.251  0.500  0.751  1.0
  Zr  Zr1  1  0.749  0.500  0.249  1.0
  Sb  Sb2  1  0.750  0.999  0.249  1.0
  Sb  Sb3  1  0.750  0.500  0.751  1.0
  Pb  Pb4  1  0.750  1.000  0.750  1.0
  Pb  Pb5  1  0.249  1.000  0.250  1.0
  Pb  Pb6  1  0.250  0.502  0.252  1.0
  Pb  Pb7  1  0.250  0.998  0.748  1.0
  O  O8  1  0.081  0.581  0.500  1.0
  O  O9  1  0.681  0.181  0.500  1.0
  O  O10  1  0.063  0.167  0.485  1.0
  O  O11  1  0.682  0.578  0.515  1.0
  O  O12  1  0.682  0.167  0.104  1.0
  O  O13  1  0.063  0.578  0.896  1.0
  O  O14  1  0.422  0.422  0.000  1.0
  O  O15  1  0.817  0.817  0.000  1.0
  O  O16  1  0.439  0.829  0.015  1.0
  O  O17  1  0.815  0.424  0.985  1.0
  O  O18  1  0.815  0.829  0.391  1.0
  O  O19  1  0.439  0.424  0.609  1.0
  O  O20  1  0.377  0.877  0.500  1.0
[/CIF]
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The crystal structure described by Zr2Pb4Sb2O13 crystallizes in the orthorhombic Imm2 space group. Zr(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Pb(1)O7 hexagonal pyramids, and edges with four equivalent Pb(2)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 44-49°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(2), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted PbO7 hexagonal pyramids that share  a cornercorner with one Pb(1)O7 hexagonal pyramid, corners with two equivalent Pb(2)O7 hexagonal pyramids,  an edgeedge with one Pb(1)O7 hexagonal pyramid, edges with two equivalent Pb(2)O7 hexagonal pyramids, edges with two equivalent Zr(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Pb site, Pb(2) is bonded to one O(1), one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted PbO7 hexagonal pyramids that share  a cornercorner with one Pb(2)O7 hexagonal pyramid, corners with two equivalent Pb(1)O7 hexagonal pyramids,  an edgeedge with one Pb(2)O7 hexagonal pyramid, edges with two equivalent Pb(1)O7 hexagonal pyramids, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Zr(1)O6 octahedra. Sb(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with two equivalent Pb(2)O7 hexagonal pyramids, and edges with four equivalent Pb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 42-44°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Pb(2) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Pb(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Zr(1), one Pb(1), one Pb(2), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Pb(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Pb(1) and two equivalent Sb(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Zr(1), one Pb(1), one Pb(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a tetrahedral geometry to two equivalent Pb(1) and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Zr2Sb2Pb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.662
_cell_length_b   7.662
_cell_length_c   7.662
_cell_angle_alpha   120.357
_cell_angle_beta   119.861
_cell_angle_gamma   89.811
_symmetry_Int_Tables_number   1
_cell_volume   317.525
_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  0.251  0.500  0.751  1.0
  Zr  Zr1  1  0.749  0.500  0.249  1.0
  Sb  Sb2  1  0.750  0.999  0.249  1.0
  Sb  Sb3  1  0.750  0.500  0.751  1.0
  Pb  Pb4  1  0.750  1.000  0.750  1.0
  Pb  Pb5  1  0.249  1.000  0.250  1.0
  Pb  Pb6  1  0.250  0.502  0.252  1.0
  Pb  Pb7  1  0.250  0.998  0.748  1.0
  O  O8  1  0.081  0.581  0.500  1.0
  O  O9  1  0.681  0.181  0.500  1.0
  O  O10  1  0.063  0.167  0.485  1.0
  O  O11  1  0.682  0.578  0.515  1.0
  O  O12  1  0.682  0.167  0.104  1.0
  O  O13  1  0.063  0.578  0.896  1.0
  O  O14  1  0.422  0.422  0.000  1.0
  O  O15  1  0.817  0.817  0.000  1.0
  O  O16  1  0.439  0.829  0.015  1.0
  O  O17  1  0.815  0.424  0.985  1.0
  O  O18  1  0.815  0.829  0.391  1.0
  O  O19  1  0.439  0.424  0.609  1.0
  O  O20  1  0.377  0.877  0.500  1.0
[/CIF]
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