The crystal structure described by Pb4Sn3TeO13 crystallizes in the trigonal R3m space group. 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 Sn(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 Sn(1)O6 octahedra. Sn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Sn(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 42-49°. 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 Sn(1)O6 octahedra and edges with six equivalent Pb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 42-43°. 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 one Pb(1), one Pb(2), and two equivalent Sn(1) atoms. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Pb(1), one Sn(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), and two equivalent Sn(1) atoms. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Pb(1), one Sn(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn3TePb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   7.651
_cell_length_c   7.651
_cell_angle_alpha   59.435
_cell_angle_beta   59.435
_cell_angle_gamma   59.435
_symmetry_Int_Tables_number   1
_cell_volume   312.594
_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
  Sn  Sn0  1  0.000  0.500  0.500  1.0
  Sn  Sn1  1  0.500  0.000  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.501  0.999  0.999  1.0
  Pb  Pb5  1  0.999  0.501  0.999  1.0
  Pb  Pb6  1  0.999  0.999  0.501  1.0
  Pb  Pb7  1  1.000  1.000  1.000  1.0
  O  O8  1  0.830  0.830  0.425  1.0
  O  O9  1  0.430  0.430  0.808  1.0
  O  O10  1  0.830  0.425  0.830  1.0
  O  O11  1  0.430  0.808  0.430  1.0
  O  O12  1  0.425  0.830  0.830  1.0
  O  O13  1  0.808  0.430  0.430  1.0
  O  O14  1  0.172  0.172  0.572  1.0
  O  O15  1  0.568  0.568  0.193  1.0
  O  O16  1  0.172  0.572  0.172  1.0
  O  O17  1  0.568  0.193  0.568  1.0
  O  O18  1  0.572  0.172  0.172  1.0
  O  O19  1  0.193  0.568  0.568  1.0
  O  O20  1  0.127  0.127  0.127  1.0
[/CIF]
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The crystal structure described by Pb4Sn3TeO13 crystallizes in the trigonal R3m space group. 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 Sn(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 Sn(1)O6 octahedra. Sn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Sn(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 42-49°. 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 Sn(1)O6 octahedra and edges with six equivalent Pb(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles range from 42-43°. 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 one Pb(1), one Pb(2), and two equivalent Sn(1) atoms. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Pb(1), one Sn(1), and one Te(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), and two equivalent Sn(1) atoms. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Pb(1), one Sn(1), and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sn3TePb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   7.651
_cell_length_c   7.651
_cell_angle_alpha   59.435
_cell_angle_beta   59.435
_cell_angle_gamma   59.435
_symmetry_Int_Tables_number   1
_cell_volume   312.594
_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
  Sn  Sn0  1  0.000  0.500  0.500  1.0
  Sn  Sn1  1  0.500  0.000  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Te  Te3  1  0.500  0.500  0.500  1.0
  Pb  Pb4  1  0.501  0.999  0.999  1.0
  Pb  Pb5  1  0.999  0.501  0.999  1.0
  Pb  Pb6  1  0.999  0.999  0.501  1.0
  Pb  Pb7  1  1.000  1.000  1.000  1.0
  O  O8  1  0.830  0.830  0.425  1.0
  O  O9  1  0.430  0.430  0.808  1.0
  O  O10  1  0.830  0.425  0.830  1.0
  O  O11  1  0.430  0.808  0.430  1.0
  O  O12  1  0.425  0.830  0.830  1.0
  O  O13  1  0.808  0.430  0.430  1.0
  O  O14  1  0.172  0.172  0.572  1.0
  O  O15  1  0.568  0.568  0.193  1.0
  O  O16  1  0.172  0.572  0.172  1.0
  O  O17  1  0.568  0.193  0.568  1.0
  O  O18  1  0.572  0.172  0.172  1.0
  O  O19  1  0.193  0.568  0.568  1.0
  O  O20  1  0.127  0.127  0.127  1.0
[/CIF]
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