The crystal structure described by Zr3Pb4TeO13 crystallizes in the trigonal R3m space group. Zr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with two equivalent Te(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 41-50°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) 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 Te(1)O6 octahedra, and edges with four equivalent Zr(1)O6 octahedra. In the second Pb site, Pb(2) is bonded to one O(5), three equivalent O(1), and three equivalent O(3) atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent Pb(1)O7 hexagonal pyramids, edges with three equivalent Pb(1)O7 hexagonal pyramids, and edges with six equivalent Zr(1)O6 octahedra. Te(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and edges with six equivalent Pb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a tetrahedral geometry to one Pb(2) and three equivalent Pb(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1), one Pb(1), and one Pb(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zr(1), two equivalent Pb(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Zr(1), one Pb(1), and one Pb(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zr(1), two equivalent Pb(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Zr3TePb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.692
_cell_length_b   7.692
_cell_length_c   7.692
_cell_angle_alpha   59.944
_cell_angle_beta   59.944
_cell_angle_gamma   59.944
_symmetry_Int_Tables_number   1
_cell_volume   321.385
_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  0.999  0.501  0.501  1.0
  Zr  Zr1  1  0.501  0.501  0.999  1.0
  Zr  Zr2  1  0.501  0.999  0.501  1.0
  Te  Te3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.501  0.001  0.001  1.0
  Pb  Pb5  1  0.001  0.001  0.501  1.0
  Pb  Pb6  1  0.001  0.501  0.001  1.0
  Pb  Pb7  1  0.998  0.998  0.998  1.0
  O  O8  1  0.168  0.571  0.168  1.0
  O  O9  1  0.566  0.199  0.566  1.0
  O  O10  1  0.168  0.168  0.571  1.0
  O  O11  1  0.566  0.566  0.199  1.0
  O  O12  1  0.571  0.168  0.168  1.0
  O  O13  1  0.199  0.566  0.566  1.0
  O  O14  1  0.828  0.434  0.828  1.0
  O  O15  1  0.436  0.800  0.436  1.0
  O  O16  1  0.828  0.828  0.434  1.0
  O  O17  1  0.436  0.436  0.800  1.0
  O  O18  1  0.434  0.828  0.828  1.0
  O  O19  1  0.800  0.436  0.436  1.0
  O  O20  1  0.872  0.872  0.872  1.0
[/CIF]
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The crystal structure described by Zr3Pb4TeO13 crystallizes in the trigonal R3m space group. Zr(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with two equivalent Te(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 41-50°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) 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 Te(1)O6 octahedra, and edges with four equivalent Zr(1)O6 octahedra. In the second Pb site, Pb(2) is bonded to one O(5), three equivalent O(1), and three equivalent O(3) atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent Pb(1)O7 hexagonal pyramids, edges with three equivalent Pb(1)O7 hexagonal pyramids, and edges with six equivalent Zr(1)O6 octahedra. Te(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TeO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and edges with six equivalent Pb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 41°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a tetrahedral geometry to one Pb(2) and three equivalent Pb(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1), one Pb(1), and one Pb(2) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Zr(1), two equivalent Pb(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Zr(1), one Pb(1), and one Pb(2) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zr(1), two equivalent Pb(1), and one Te(1) atom. is represented by the CIF file [CIF]
data_Zr3TePb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.692
_cell_length_b   7.692
_cell_length_c   7.692
_cell_angle_alpha   59.944
_cell_angle_beta   59.944
_cell_angle_gamma   59.944
_symmetry_Int_Tables_number   1
_cell_volume   321.385
_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  0.999  0.501  0.501  1.0
  Zr  Zr1  1  0.501  0.501  0.999  1.0
  Zr  Zr2  1  0.501  0.999  0.501  1.0
  Te  Te3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.501  0.001  0.001  1.0
  Pb  Pb5  1  0.001  0.001  0.501  1.0
  Pb  Pb6  1  0.001  0.501  0.001  1.0
  Pb  Pb7  1  0.998  0.998  0.998  1.0
  O  O8  1  0.168  0.571  0.168  1.0
  O  O9  1  0.566  0.199  0.566  1.0
  O  O10  1  0.168  0.168  0.571  1.0
  O  O11  1  0.566  0.566  0.199  1.0
  O  O12  1  0.571  0.168  0.168  1.0
  O  O13  1  0.199  0.566  0.566  1.0
  O  O14  1  0.828  0.434  0.828  1.0
  O  O15  1  0.436  0.800  0.436  1.0
  O  O16  1  0.828  0.828  0.434  1.0
  O  O17  1  0.436  0.436  0.800  1.0
  O  O18  1  0.434  0.828  0.828  1.0
  O  O19  1  0.800  0.436  0.436  1.0
  O  O20  1  0.872  0.872  0.872  1.0
[/CIF]
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