The structure described by Pb2Sr2GdCu3O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to one O(3) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O5 square pyramid and corners with four equivalent Cu(2)O5 square pyramids. Pb(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted PbO5 square pyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(2) atoms to form distorted OSr2Gd2Cu2 octahedra that share corners with two equivalent O(2)SrCuPb4 octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Gd2Cu2 octahedra, edges with three equivalent O(1)Sr2Gd2Cu2 octahedra, faces with two equivalent O(3)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to one Sr(1), one Cu(1), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share corners with four equivalent O(1)Sr2Gd2Cu2 octahedra, corners with five equivalent O(2)SrCuPb4 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, and edges with four equivalent O(2)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Gd2Cu2 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, edges with four equivalent O(2)SrCuPb4 octahedra, and faces with four equivalent O(1)Sr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. is represented by the CIF card [CIF]
data_Sr2GdCu3(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.846
_cell_length_b   3.846
_cell_length_c   16.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.309
_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
  Sr  Sr0  1  0.000  0.000  0.778  1.0
  Sr  Sr1  1  0.000  0.000  0.222  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.894  1.0
  Cu  Cu5  1  0.500  0.500  0.106  1.0
  Pb  Pb6  1  0.500  0.500  0.388  1.0
  Pb  Pb7  1  0.500  0.500  0.612  1.0
  O  O8  1  0.000  0.500  0.906  1.0
  O  O9  1  0.500  0.000  0.094  1.0
  O  O10  1  0.000  0.500  0.094  1.0
  O  O11  1  0.500  0.000  0.906  1.0
  O  O12  1  0.000  0.000  0.384  1.0
  O  O13  1  0.500  0.500  0.748  1.0
  O  O14  1  0.500  0.500  0.252  1.0
  O  O15  1  0.000  0.000  0.616  1.0
[/CIF]
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The structure described by Pb2Sr2GdCu3O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Gd(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to one O(3) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O5 square pyramid and corners with four equivalent Cu(2)O5 square pyramids. Pb(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted PbO5 square pyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Cu(2) atoms to form distorted OSr2Gd2Cu2 octahedra that share corners with two equivalent O(2)SrCuPb4 octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Gd2Cu2 octahedra, edges with three equivalent O(1)Sr2Gd2Cu2 octahedra, faces with two equivalent O(3)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(2) is bonded to one Sr(1), one Cu(1), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share corners with four equivalent O(1)Sr2Gd2Cu2 octahedra, corners with five equivalent O(2)SrCuPb4 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, and edges with four equivalent O(2)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Gd2Cu2 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, edges with four equivalent O(2)SrCuPb4 octahedra, and faces with four equivalent O(1)Sr2Gd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. is represented by the CIF card [CIF]
data_Sr2GdCu3(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.846
_cell_length_b   3.846
_cell_length_c   16.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   237.309
_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
  Sr  Sr0  1  0.000  0.000  0.778  1.0
  Sr  Sr1  1  0.000  0.000  0.222  1.0
  Gd  Gd2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.894  1.0
  Cu  Cu5  1  0.500  0.500  0.106  1.0
  Pb  Pb6  1  0.500  0.500  0.388  1.0
  Pb  Pb7  1  0.500  0.500  0.612  1.0
  O  O8  1  0.000  0.500  0.906  1.0
  O  O9  1  0.500  0.000  0.094  1.0
  O  O10  1  0.000  0.500  0.094  1.0
  O  O11  1  0.500  0.000  0.906  1.0
  O  O12  1  0.000  0.000  0.384  1.0
  O  O13  1  0.500  0.500  0.748  1.0
  O  O14  1  0.500  0.500  0.252  1.0
  O  O15  1  0.000  0.000  0.616  1.0
[/CIF]
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