The material structure described by ScPb4Sb3O13 crystallizes in the trigonal R3m space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and edges with six equivalent Pb(2)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(5), three equivalent O(2), and three equivalent O(4) atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent Pb(2)O7 hexagonal pyramids, edges with three equivalent Pb(2)O7 hexagonal pyramids, and edges with six equivalent Sb(1)O6 octahedra. In the second Pb site, Pb(2) is bonded to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) 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 Sc(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sc(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 43-45°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a tetrahedral geometry to one Pb(1) and three equivalent Pb(2) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Pb(2), and one Sb(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), and two equivalent Sb(1) atoms. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Pb(2), and one Sb(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_ScSb3Pb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.578
_cell_length_c   7.578
_cell_angle_alpha   60.010
_cell_angle_beta   60.010
_cell_angle_gamma   60.010
_symmetry_Int_Tables_number   1
_cell_volume   307.802
_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
  Sc  Sc0  1  0.500  0.500  0.500  1.0
  Sb  Sb1  1  0.001  0.500  0.500  1.0
  Sb  Sb2  1  0.500  0.500  0.001  1.0
  Sb  Sb3  1  0.500  0.001  0.500  1.0
  Pb  Pb4  1  0.999  0.999  0.999  1.0
  Pb  Pb5  1  0.502  0.999  0.999  1.0
  Pb  Pb6  1  0.999  0.999  0.502  1.0
  Pb  Pb7  1  0.999  0.502  0.999  1.0
  O  O8  1  0.836  0.426  0.426  1.0
  O  O9  1  0.424  0.822  0.822  1.0
  O  O10  1  0.426  0.426  0.836  1.0
  O  O11  1  0.822  0.822  0.424  1.0
  O  O12  1  0.822  0.424  0.822  1.0
  O  O13  1  0.426  0.836  0.426  1.0
  O  O14  1  0.168  0.572  0.572  1.0
  O  O15  1  0.574  0.180  0.180  1.0
  O  O16  1  0.572  0.572  0.168  1.0
  O  O17  1  0.180  0.180  0.574  1.0
  O  O18  1  0.180  0.574  0.180  1.0
  O  O19  1  0.572  0.168  0.572  1.0
  O  O20  1  0.124  0.124  0.124  1.0
[/CIF]
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The material structure described by ScPb4Sb3O13 crystallizes in the trigonal R3m space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra and edges with six equivalent Pb(2)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(5), three equivalent O(2), and three equivalent O(4) atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent Pb(2)O7 hexagonal pyramids, edges with three equivalent Pb(2)O7 hexagonal pyramids, and edges with six equivalent Sb(1)O6 octahedra. In the second Pb site, Pb(2) is bonded to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) 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 Sc(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Sc(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 43-45°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a tetrahedral geometry to one Pb(1) and three equivalent Pb(2) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Pb(2), and one Sb(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), and two equivalent Sb(1) atoms. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Pb(2), and one Sb(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_ScSb3Pb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.578
_cell_length_c   7.578
_cell_angle_alpha   60.010
_cell_angle_beta   60.010
_cell_angle_gamma   60.010
_symmetry_Int_Tables_number   1
_cell_volume   307.802
_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
  Sc  Sc0  1  0.500  0.500  0.500  1.0
  Sb  Sb1  1  0.001  0.500  0.500  1.0
  Sb  Sb2  1  0.500  0.500  0.001  1.0
  Sb  Sb3  1  0.500  0.001  0.500  1.0
  Pb  Pb4  1  0.999  0.999  0.999  1.0
  Pb  Pb5  1  0.502  0.999  0.999  1.0
  Pb  Pb6  1  0.999  0.999  0.502  1.0
  Pb  Pb7  1  0.999  0.502  0.999  1.0
  O  O8  1  0.836  0.426  0.426  1.0
  O  O9  1  0.424  0.822  0.822  1.0
  O  O10  1  0.426  0.426  0.836  1.0
  O  O11  1  0.822  0.822  0.424  1.0
  O  O12  1  0.822  0.424  0.822  1.0
  O  O13  1  0.426  0.836  0.426  1.0
  O  O14  1  0.168  0.572  0.572  1.0
  O  O15  1  0.574  0.180  0.180  1.0
  O  O16  1  0.572  0.572  0.168  1.0
  O  O17  1  0.180  0.180  0.574  1.0
  O  O18  1  0.180  0.574  0.180  1.0
  O  O19  1  0.572  0.168  0.572  1.0
  O  O20  1  0.124  0.124  0.124  1.0
[/CIF]
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