The material structure described by Sr4CaYCu6(PbO4)4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(2) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O5 square pyramid and corners with four equivalent Cu(1)O5 square pyramids. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(4) atom. Pb(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted PbO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(1), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(1)Sr4CuPb octahedra, corners with eight equivalent O(2)Sr2CaYCu2 octahedra, edges with two equivalent O(3)SrCuPb4 octahedra, edges with two equivalent O(4)SrCuPb4 octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, and faces with four equivalent O(2)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 22-52°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Y(1), and two equivalent Cu(1) atoms to form distorted OSr2CaYCu2 octahedra that share  a cornercorner with one O(3)SrCuPb4 octahedra,  a cornercorner with one O(4)SrCuPb4 octahedra, corners with four equivalent O(1)Sr4CuPb octahedra, corners with eight equivalent O(2)Sr2CaYCu2 octahedra, edges with three equivalent O(2)Sr2CaYCu2 octahedra, faces with two equivalent O(1)Sr4CuPb octahedra, and faces with four equivalent O(2)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(3) is bonded to one Sr(1), one Cu(2), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share  a cornercorner with one O(4)SrCuPb4 octahedra, corners with four equivalent O(2)Sr2CaYCu2 octahedra, corners with four equivalent O(3)SrCuPb4 octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, and edges with four equivalent O(4)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the fourth O site, O(4) is bonded to one Sr(2), one Cu(2), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share  a cornercorner with one O(3)SrCuPb4 octahedra, corners with four equivalent O(2)Sr2CaYCu2 octahedra, corners with four equivalent O(4)SrCuPb4 octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, and edges with four equivalent O(3)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. is represented by the CIF card [CIF]
data_Sr4CaYCu6(PbO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.478
_cell_length_b   16.478
_cell_length_c   16.478
_cell_angle_alpha   161.116
_cell_angle_beta   161.116
_cell_angle_gamma   26.830
_symmetry_Int_Tables_number   1
_cell_volume   468.458
_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  0.109  0.109  0.000  1.0
  Sr  Sr1  1  0.610  0.610  0.000  1.0
  Sr  Sr2  1  0.390  0.390  0.000  1.0
  Sr  Sr3  1  0.891  0.891  0.000  1.0
  Ca  Ca4  1  0.000  0.000  0.000  1.0
  Y  Y5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.053  0.553  0.500  1.0
  Cu  Cu7  1  0.553  0.053  0.500  1.0
  Cu  Cu8  1  0.447  0.947  0.500  1.0
  Cu  Cu9  1  0.947  0.447  0.500  1.0
  Cu  Cu10  1  0.250  0.250  0.000  1.0
  Cu  Cu11  1  0.750  0.750  0.000  1.0
  Pb  Pb12  1  0.194  0.694  0.500  1.0
  Pb  Pb13  1  0.694  0.194  0.500  1.0
  Pb  Pb14  1  0.306  0.806  0.500  1.0
  Pb  Pb15  1  0.806  0.306  0.500  1.0
  O  O16  1  0.126  0.626  0.500  1.0
  O  O17  1  0.626  0.126  0.500  1.0
  O  O18  1  0.374  0.874  0.500  1.0
  O  O19  1  0.874  0.374  0.500  1.0
  O  O20  1  0.303  0.793  0.000  1.0
  O  O21  1  0.793  0.303  0.000  1.0
  O  O22  1  0.697  0.697  0.490  1.0
  O  O23  1  0.207  0.207  0.510  1.0
  O  O24  1  0.697  0.207  0.000  1.0
  O  O25  1  0.207  0.697  0.000  1.0
  O  O26  1  0.303  0.303  0.510  1.0
  O  O27  1  0.793  0.793  0.490  1.0
  O  O28  1  0.192  0.192  0.000  1.0
  O  O29  1  0.692  0.692  0.000  1.0
  O  O30  1  0.308  0.308  0.000  1.0
  O  O31  1  0.808  0.808  0.000  1.0
[/CIF]
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The material structure described by Sr4CaYCu6(PbO4)4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(2) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O5 square pyramid and corners with four equivalent Cu(1)O5 square pyramids. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(3) and one O(4) atom. Pb(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted PbO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(1), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(1)Sr4CuPb octahedra, corners with eight equivalent O(2)Sr2CaYCu2 octahedra, edges with two equivalent O(3)SrCuPb4 octahedra, edges with two equivalent O(4)SrCuPb4 octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, and faces with four equivalent O(2)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 22-52°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Y(1), and two equivalent Cu(1) atoms to form distorted OSr2CaYCu2 octahedra that share  a cornercorner with one O(3)SrCuPb4 octahedra,  a cornercorner with one O(4)SrCuPb4 octahedra, corners with four equivalent O(1)Sr4CuPb octahedra, corners with eight equivalent O(2)Sr2CaYCu2 octahedra, edges with three equivalent O(2)Sr2CaYCu2 octahedra, faces with two equivalent O(1)Sr4CuPb octahedra, and faces with four equivalent O(2)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(3) is bonded to one Sr(1), one Cu(2), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share  a cornercorner with one O(4)SrCuPb4 octahedra, corners with four equivalent O(2)Sr2CaYCu2 octahedra, corners with four equivalent O(3)SrCuPb4 octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, and edges with four equivalent O(4)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the fourth O site, O(4) is bonded to one Sr(2), one Cu(2), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share  a cornercorner with one O(3)SrCuPb4 octahedra, corners with four equivalent O(2)Sr2CaYCu2 octahedra, corners with four equivalent O(4)SrCuPb4 octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, and edges with four equivalent O(3)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. is represented by the CIF card [CIF]
data_Sr4CaYCu6(PbO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.478
_cell_length_b   16.478
_cell_length_c   16.478
_cell_angle_alpha   161.116
_cell_angle_beta   161.116
_cell_angle_gamma   26.830
_symmetry_Int_Tables_number   1
_cell_volume   468.458
_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  0.109  0.109  0.000  1.0
  Sr  Sr1  1  0.610  0.610  0.000  1.0
  Sr  Sr2  1  0.390  0.390  0.000  1.0
  Sr  Sr3  1  0.891  0.891  0.000  1.0
  Ca  Ca4  1  0.000  0.000  0.000  1.0
  Y  Y5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.053  0.553  0.500  1.0
  Cu  Cu7  1  0.553  0.053  0.500  1.0
  Cu  Cu8  1  0.447  0.947  0.500  1.0
  Cu  Cu9  1  0.947  0.447  0.500  1.0
  Cu  Cu10  1  0.250  0.250  0.000  1.0
  Cu  Cu11  1  0.750  0.750  0.000  1.0
  Pb  Pb12  1  0.194  0.694  0.500  1.0
  Pb  Pb13  1  0.694  0.194  0.500  1.0
  Pb  Pb14  1  0.306  0.806  0.500  1.0
  Pb  Pb15  1  0.806  0.306  0.500  1.0
  O  O16  1  0.126  0.626  0.500  1.0
  O  O17  1  0.626  0.126  0.500  1.0
  O  O18  1  0.374  0.874  0.500  1.0
  O  O19  1  0.874  0.374  0.500  1.0
  O  O20  1  0.303  0.793  0.000  1.0
  O  O21  1  0.793  0.303  0.000  1.0
  O  O22  1  0.697  0.697  0.490  1.0
  O  O23  1  0.207  0.207  0.510  1.0
  O  O24  1  0.697  0.207  0.000  1.0
  O  O25  1  0.207  0.697  0.000  1.0
  O  O26  1  0.303  0.303  0.510  1.0
  O  O27  1  0.793  0.793  0.490  1.0
  O  O28  1  0.192  0.192  0.000  1.0
  O  O29  1  0.692  0.692  0.000  1.0
  O  O30  1  0.308  0.308  0.000  1.0
  O  O31  1  0.808  0.808  0.000  1.0
[/CIF]
.