The material described by Sr4CaYFeCu4PbO14 crystallizes in the tetragonal I-4m2 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(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to two equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing CuO5 square pyramids. 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)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form PbO6 octahedra that share corners with four equivalent Pb(1)O6 octahedra and corners with two equivalent Cu(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Cu(1) atom. In the second O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with five equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2CaYCu2 octahedra, edges with four equivalent O(4)Sr2Fe2Pb2 octahedra, and faces with four equivalent O(1)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Fe(1), and two equivalent Pb(1) atoms to form OSr2Fe2Pb2 octahedra that share corners with four equivalent O(4)Sr2Fe2Pb2 octahedra, corners with eight equivalent O(1)Sr2CaYCu2 octahedra, edges with four equivalent O(4)Sr2Fe2Pb2 octahedra, and edges with four equivalent O(3)Sr4CuPb octahedra. The corner-sharing octahedral tilt angles range from 1-45°. In the fourth O site, O(1) is bonded to one Sr(1), one Sr(2), one Ca(1), one Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2CaYCu2 octahedra that share corners with two equivalent O(4)Sr2Fe2Pb2 octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2CaYCu2 octahedra, edges with three equivalent O(1)Sr2CaYCu2 octahedra,  a faceface with one O(3)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CaYFeCu4PbO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.391
_cell_length_b   5.391
_cell_length_c   12.661
_cell_angle_alpha   77.709
_cell_angle_beta   77.709
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.835
_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  0.105  0.605  0.791  1.0
  Sr  Sr1  1  0.606  0.106  0.788  1.0
  Sr  Sr2  1  0.395  0.895  0.209  1.0
  Sr  Sr3  1  0.894  0.394  0.212  1.0
  Ca  Ca4  1  0.750  0.250  0.500  1.0
  Y  Y5  1  0.250  0.750  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.182  0.182  0.637  1.0
  Cu  Cu8  1  0.679  0.679  0.642  1.0
  Cu  Cu9  1  0.321  0.321  0.358  1.0
  Cu  Cu10  1  0.818  0.818  0.363  1.0
  Pb  Pb11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.431  0.933  0.627  1.0
  O  O13  1  0.942  0.440  0.627  1.0
  O  O14  1  0.942  0.933  0.627  1.0
  O  O15  1  0.431  0.440  0.627  1.0
  O  O16  1  0.560  0.058  0.373  1.0
  O  O17  1  0.067  0.569  0.373  1.0
  O  O18  1  0.067  0.058  0.373  1.0
  O  O19  1  0.560  0.569  0.373  1.0
  O  O20  1  0.076  0.076  0.847  1.0
  O  O21  1  0.589  0.589  0.822  1.0
  O  O22  1  0.411  0.411  0.178  1.0
  O  O23  1  0.924  0.924  0.153  1.0
  O  O24  1  0.501  0.001  0.999  1.0
  O  O25  1  0.999  0.499  0.001  1.0
[/CIF]
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The material described by Sr4CaYFeCu4PbO14 crystallizes in the tetragonal I-4m2 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(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Fe(1) is bonded in a distorted linear geometry to two equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing CuO5 square pyramids. 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)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form PbO6 octahedra that share corners with four equivalent Pb(1)O6 octahedra and corners with two equivalent Cu(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), one Fe(1), and one Cu(1) atom. In the second O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with five equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2CaYCu2 octahedra, edges with four equivalent O(4)Sr2Fe2Pb2 octahedra, and faces with four equivalent O(1)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Fe(1), and two equivalent Pb(1) atoms to form OSr2Fe2Pb2 octahedra that share corners with four equivalent O(4)Sr2Fe2Pb2 octahedra, corners with eight equivalent O(1)Sr2CaYCu2 octahedra, edges with four equivalent O(4)Sr2Fe2Pb2 octahedra, and edges with four equivalent O(3)Sr4CuPb octahedra. The corner-sharing octahedral tilt angles range from 1-45°. In the fourth O site, O(1) is bonded to one Sr(1), one Sr(2), one Ca(1), one Y(1), one Cu(1), and one Cu(2) atom to form distorted OSr2CaYCu2 octahedra that share corners with two equivalent O(4)Sr2Fe2Pb2 octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2CaYCu2 octahedra, edges with three equivalent O(1)Sr2CaYCu2 octahedra,  a faceface with one O(3)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2CaYCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CaYFeCu4PbO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.391
_cell_length_b   5.391
_cell_length_c   12.661
_cell_angle_alpha   77.709
_cell_angle_beta   77.709
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.835
_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  0.105  0.605  0.791  1.0
  Sr  Sr1  1  0.606  0.106  0.788  1.0
  Sr  Sr2  1  0.395  0.895  0.209  1.0
  Sr  Sr3  1  0.894  0.394  0.212  1.0
  Ca  Ca4  1  0.750  0.250  0.500  1.0
  Y  Y5  1  0.250  0.750  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.182  0.182  0.637  1.0
  Cu  Cu8  1  0.679  0.679  0.642  1.0
  Cu  Cu9  1  0.321  0.321  0.358  1.0
  Cu  Cu10  1  0.818  0.818  0.363  1.0
  Pb  Pb11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.431  0.933  0.627  1.0
  O  O13  1  0.942  0.440  0.627  1.0
  O  O14  1  0.942  0.933  0.627  1.0
  O  O15  1  0.431  0.440  0.627  1.0
  O  O16  1  0.560  0.058  0.373  1.0
  O  O17  1  0.067  0.569  0.373  1.0
  O  O18  1  0.067  0.058  0.373  1.0
  O  O19  1  0.560  0.569  0.373  1.0
  O  O20  1  0.076  0.076  0.847  1.0
  O  O21  1  0.589  0.589  0.822  1.0
  O  O22  1  0.411  0.411  0.178  1.0
  O  O23  1  0.924  0.924  0.153  1.0
  O  O24  1  0.501  0.001  0.999  1.0
  O  O25  1  0.999  0.499  0.001  1.0
[/CIF]
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