The material described by Sr2PrCeCu3(PbO5)2 crystallizes in the triclinic P1 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(9), two equivalent O(1), two equivalent O(4), and four equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(10), two equivalent O(2), two equivalent O(3), and four equivalent O(8) atoms. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(7), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(8), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(10) and one O(9) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(9) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(8) and two equivalent O(10) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(7)Sr4CuPb octahedra, corners with two equivalent O(5)Ce2Pr2 tetrahedra, corners with four equivalent O(6)Ce2Pr2 tetrahedra, edges with two equivalent O(1)Sr2Pr2Cu2 octahedra,  an edgeedge with one O(5)Ce2Pr2 tetrahedra, faces with two equivalent O(7)Sr4CuPb octahedra, and faces with four equivalent O(4)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 12-52°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Ce(1), and two equivalent Cu(2) atoms to form distorted OSr2Ce2Cu2 octahedra that share corners with two equivalent O(2)Sr2Ce2Cu2 octahedra, corners with four equivalent O(8)Sr4CuPb octahedra, corners with two equivalent O(5)Ce2Pr2 tetrahedra, corners with four equivalent O(6)Ce2Pr2 tetrahedra, edges with two equivalent O(2)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(5)Ce2Pr2 tetrahedra, faces with two equivalent O(8)Sr4CuPb octahedra, and faces with four equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 12-54°. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Ce(1), and two equivalent Cu(2) atoms to form distorted OSr2Ce2Cu2 octahedra that share corners with two equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(8)Sr4CuPb octahedra, corners with two equivalent O(6)Ce2Pr2 tetrahedra, corners with four equivalent O(5)Ce2Pr2 tetrahedra, edges with two equivalent O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(6)Ce2Pr2 tetrahedra, faces with two equivalent O(8)Sr4CuPb octahedra, and faces with four equivalent O(2)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(7)Sr4CuPb octahedra, corners with two equivalent O(6)Ce2Pr2 tetrahedra, corners with four equivalent O(5)Ce2Pr2 tetrahedra, edges with two equivalent O(4)Sr2Pr2Cu2 octahedra,  an edgeedge with one O(6)Ce2Pr2 tetrahedra, faces with two equivalent O(7)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 11-52°. In the fifth O site, O(5) is bonded to two equivalent Pr(1) and two equivalent Ce(1) atoms to form OCe2Pr2 tetrahedra that share corners with two equivalent O(2)Sr2Ce2Cu2 octahedra, corners with two equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(5)Ce2Pr2 tetrahedra,  an edgeedge with one O(2)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(1)Sr2Pr2Cu2 octahedra, and edges with four equivalent O(6)Ce2Pr2 tetrahedra. The corner-sharing octahedral tilt angles range from 4-71°. In the sixth O site, O(6) is bonded to two equivalent Pr(1) and two equivalent Ce(1) atoms to form OCe2Pr2 tetrahedra that share corners with two equivalent O(3)Sr2Ce2Cu2 octahedra, corners with two equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(2)Sr2Ce2Cu2 octahedra, corners with four equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(6)Ce2Pr2 tetrahedra,  an edgeedge with one O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(4)Sr2Pr2Cu2 octahedra, and edges with four equivalent O(5)Ce2Pr2 tetrahedra. The corner-sharing octahedral tilt angles range from 4-71°. In the seventh O site, O(7) is bonded to four equivalent Sr(1), one Cu(1), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(7)Sr4CuPb octahedra, edges with four equivalent O(7)Sr4CuPb octahedra, faces with two equivalent O(1)Sr2Pr2Cu2 octahedra, and faces with two equivalent O(4)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 21-52°. In the eighth O site, O(8) is bonded to four equivalent Sr(2), one Cu(2), and one Pb(2) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(2)Sr2Ce2Cu2 octahedra, corners with four equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(8)Sr4CuPb octahedra, edges with four equivalent O(8)Sr4CuPb octahedra, faces with two equivalent O(2)Sr2Ce2Cu2 octahedra, and faces with two equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(3), and two equivalent Pb(1) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(2), one Cu(3), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Sr2CePrCu3(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   3.903
_cell_length_c   18.958
_cell_angle_alpha   94.960
_cell_angle_beta   95.616
_cell_angle_gamma   89.980
_symmetry_Int_Tables_number   1
_cell_volume   284.205
_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  0.122  0.130  0.236  1.0
  Sr  Sr1  1  0.879  0.870  0.765  1.0
  Ce  Ce2  1  0.785  0.783  0.571  1.0
  Pr  Pr3  1  0.215  0.217  0.429  1.0
  Cu  Cu4  1  0.666  0.668  0.331  1.0
  Cu  Cu5  1  0.333  0.331  0.667  1.0
  Cu  Cu6  1  1.000  0.999  0.999  1.0
  Pb  Pb7  1  0.554  0.547  0.094  1.0
  Pb  Pb8  1  0.446  0.453  0.906  1.0
  O  O9  1  0.171  0.675  0.342  1.0
  O  O10  1  0.328  0.827  0.656  1.0
  O  O11  1  0.828  0.327  0.655  1.0
  O  O12  1  0.671  0.172  0.341  1.0
  O  O13  1  0.253  0.750  0.506  1.0
  O  O14  1  0.752  0.252  0.506  1.0
  O  O15  1  0.609  0.619  0.209  1.0
  O  O16  1  0.391  0.380  0.789  1.0
  O  O17  1  0.063  0.147  0.096  1.0
  O  O18  1  0.936  0.853  0.903  1.0
[/CIF]
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The material described by Sr2PrCeCu3(PbO5)2 crystallizes in the triclinic P1 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(9), two equivalent O(1), two equivalent O(4), and four equivalent O(7) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(10), two equivalent O(2), two equivalent O(3), and four equivalent O(8) atoms. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(7), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(8), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(10) and one O(9) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(9) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(8) and two equivalent O(10) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(7)Sr4CuPb octahedra, corners with two equivalent O(5)Ce2Pr2 tetrahedra, corners with four equivalent O(6)Ce2Pr2 tetrahedra, edges with two equivalent O(1)Sr2Pr2Cu2 octahedra,  an edgeedge with one O(5)Ce2Pr2 tetrahedra, faces with two equivalent O(7)Sr4CuPb octahedra, and faces with four equivalent O(4)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 12-52°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Ce(1), and two equivalent Cu(2) atoms to form distorted OSr2Ce2Cu2 octahedra that share corners with two equivalent O(2)Sr2Ce2Cu2 octahedra, corners with four equivalent O(8)Sr4CuPb octahedra, corners with two equivalent O(5)Ce2Pr2 tetrahedra, corners with four equivalent O(6)Ce2Pr2 tetrahedra, edges with two equivalent O(2)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(5)Ce2Pr2 tetrahedra, faces with two equivalent O(8)Sr4CuPb octahedra, and faces with four equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 12-54°. In the third O site, O(3) is bonded to two equivalent Sr(2), two equivalent Ce(1), and two equivalent Cu(2) atoms to form distorted OSr2Ce2Cu2 octahedra that share corners with two equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(8)Sr4CuPb octahedra, corners with two equivalent O(6)Ce2Pr2 tetrahedra, corners with four equivalent O(5)Ce2Pr2 tetrahedra, edges with two equivalent O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(6)Ce2Pr2 tetrahedra, faces with two equivalent O(8)Sr4CuPb octahedra, and faces with four equivalent O(2)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(7)Sr4CuPb octahedra, corners with two equivalent O(6)Ce2Pr2 tetrahedra, corners with four equivalent O(5)Ce2Pr2 tetrahedra, edges with two equivalent O(4)Sr2Pr2Cu2 octahedra,  an edgeedge with one O(6)Ce2Pr2 tetrahedra, faces with two equivalent O(7)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 11-52°. In the fifth O site, O(5) is bonded to two equivalent Pr(1) and two equivalent Ce(1) atoms to form OCe2Pr2 tetrahedra that share corners with two equivalent O(2)Sr2Ce2Cu2 octahedra, corners with two equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(5)Ce2Pr2 tetrahedra,  an edgeedge with one O(2)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(1)Sr2Pr2Cu2 octahedra, and edges with four equivalent O(6)Ce2Pr2 tetrahedra. The corner-sharing octahedral tilt angles range from 4-71°. In the sixth O site, O(6) is bonded to two equivalent Pr(1) and two equivalent Ce(1) atoms to form OCe2Pr2 tetrahedra that share corners with two equivalent O(3)Sr2Ce2Cu2 octahedra, corners with two equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(2)Sr2Ce2Cu2 octahedra, corners with four equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(6)Ce2Pr2 tetrahedra,  an edgeedge with one O(3)Sr2Ce2Cu2 octahedra,  an edgeedge with one O(4)Sr2Pr2Cu2 octahedra, and edges with four equivalent O(5)Ce2Pr2 tetrahedra. The corner-sharing octahedral tilt angles range from 4-71°. In the seventh O site, O(7) is bonded to four equivalent Sr(1), one Cu(1), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(4)Sr2Pr2Cu2 octahedra, corners with four equivalent O(7)Sr4CuPb octahedra, edges with four equivalent O(7)Sr4CuPb octahedra, faces with two equivalent O(1)Sr2Pr2Cu2 octahedra, and faces with two equivalent O(4)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 21-52°. In the eighth O site, O(8) is bonded to four equivalent Sr(2), one Cu(2), and one Pb(2) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(2)Sr2Ce2Cu2 octahedra, corners with four equivalent O(3)Sr2Ce2Cu2 octahedra, corners with four equivalent O(8)Sr4CuPb octahedra, edges with four equivalent O(8)Sr4CuPb octahedra, faces with two equivalent O(2)Sr2Ce2Cu2 octahedra, and faces with two equivalent O(3)Sr2Ce2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Cu(3), and two equivalent Pb(1) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(2), one Cu(3), and two equivalent Pb(2) atoms. is represented by the CIF card [CIF]
data_Sr2CePrCu3(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   3.903
_cell_length_c   18.958
_cell_angle_alpha   94.960
_cell_angle_beta   95.616
_cell_angle_gamma   89.980
_symmetry_Int_Tables_number   1
_cell_volume   284.205
_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  0.122  0.130  0.236  1.0
  Sr  Sr1  1  0.879  0.870  0.765  1.0
  Ce  Ce2  1  0.785  0.783  0.571  1.0
  Pr  Pr3  1  0.215  0.217  0.429  1.0
  Cu  Cu4  1  0.666  0.668  0.331  1.0
  Cu  Cu5  1  0.333  0.331  0.667  1.0
  Cu  Cu6  1  1.000  0.999  0.999  1.0
  Pb  Pb7  1  0.554  0.547  0.094  1.0
  Pb  Pb8  1  0.446  0.453  0.906  1.0
  O  O9  1  0.171  0.675  0.342  1.0
  O  O10  1  0.328  0.827  0.656  1.0
  O  O11  1  0.828  0.327  0.655  1.0
  O  O12  1  0.671  0.172  0.341  1.0
  O  O13  1  0.253  0.750  0.506  1.0
  O  O14  1  0.752  0.252  0.506  1.0
  O  O15  1  0.609  0.619  0.209  1.0
  O  O16  1  0.391  0.380  0.789  1.0
  O  O17  1  0.063  0.147  0.096  1.0
  O  O18  1  0.936  0.853  0.903  1.0
[/CIF]
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