The crystal structure described by Ba8PrY3(Cu3O7)4 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(10), two equivalent O(11), and four equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(2), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(13), two equivalent O(3), two equivalent O(9), and four equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(14), two equivalent O(4), two equivalent O(9), and four equivalent O(8) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(14) and four equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(11), two equivalent O(13), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to four equivalent O(12) and four equivalent O(2) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(9) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(5), one O(6), and two equivalent O(10) atoms. In the third Cu site, Cu(3) is bonded to one O(5), two equivalent O(1), and two equivalent O(11) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(6), two equivalent O(12), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(7), two equivalent O(13), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the sixth Cu site, Cu(6) is bonded to one O(8), two equivalent O(14), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the seventh O site, O(7) is bonded to four equivalent Ba(3), one Cu(1), and one Cu(5) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eighth O site, O(8) is bonded to four equivalent Ba(4), one Cu(1), and one Cu(6) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the tenth O site, O(10) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(2) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms. is represented by the CIF card [CIF]
data_Ba8PrY3(Cu3O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.856
_cell_length_b   3.938
_cell_length_c   47.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   718.008
_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
  Ba  Ba0  1  0.500  0.500  0.170  1.0
  Ba  Ba1  1  0.500  0.500  0.920  1.0
  Ba  Ba2  1  0.500  0.500  0.670  1.0
  Ba  Ba3  1  0.500  0.500  0.420  1.0
  Ba  Ba4  1  0.500  0.500  0.330  1.0
  Ba  Ba5  1  0.500  0.500  0.080  1.0
  Ba  Ba6  1  0.500  0.500  0.830  1.0
  Ba  Ba7  1  0.500  0.500  0.580  1.0
  Pr  Pr8  1  0.500  0.500  0.500  1.0
  Y  Y9  1  0.500  0.500  0.250  1.0
  Y  Y10  1  0.500  0.500  0.000  1.0
  Y  Y11  1  0.500  0.500  0.750  1.0
  Cu  Cu12  1  0.000  0.000  0.375  1.0
  Cu  Cu13  1  0.000  0.000  0.125  1.0
  Cu  Cu14  1  0.000  0.000  0.875  1.0
  Cu  Cu15  1  0.000  0.000  0.625  1.0
  Cu  Cu16  1  0.000  0.000  0.213  1.0
  Cu  Cu17  1  0.000  0.000  0.963  1.0
  Cu  Cu18  1  0.000  0.000  0.713  1.0
  Cu  Cu19  1  0.000  0.000  0.461  1.0
  Cu  Cu20  1  0.000  0.000  0.287  1.0
  Cu  Cu21  1  0.000  0.000  0.037  1.0
  Cu  Cu22  1  0.000  0.000  0.787  1.0
  Cu  Cu23  1  0.000  0.000  0.539  1.0
  O  O24  1  0.500  0.000  0.220  1.0
  O  O25  1  0.500  0.000  0.970  1.0
  O  O26  1  0.500  0.000  0.720  1.0
  O  O27  1  0.500  0.000  0.467  1.0
  O  O28  1  0.500  0.000  0.280  1.0
  O  O29  1  0.500  0.000  0.030  1.0
  O  O30  1  0.500  0.000  0.780  1.0
  O  O31  1  0.500  0.000  0.533  1.0
  O  O32  1  0.000  0.000  0.165  1.0
  O  O33  1  0.000  0.000  0.915  1.0
  O  O34  1  0.000  0.000  0.665  1.0
  O  O35  1  0.000  0.000  0.414  1.0
  O  O36  1  0.000  0.000  0.335  1.0
  O  O37  1  0.000  0.000  0.085  1.0
  O  O38  1  0.000  0.000  0.835  1.0
  O  O39  1  0.000  0.000  0.586  1.0
  O  O40  1  0.000  0.500  0.375  1.0
  O  O41  1  0.000  0.500  0.125  1.0
  O  O42  1  0.000  0.500  0.875  1.0
  O  O43  1  0.000  0.500  0.625  1.0
  O  O44  1  0.000  0.500  0.220  1.0
  O  O45  1  0.000  0.500  0.970  1.0
  O  O46  1  0.000  0.500  0.720  1.0
  O  O47  1  0.000  0.500  0.467  1.0
  O  O48  1  0.000  0.500  0.280  1.0
  O  O49  1  0.000  0.500  0.030  1.0
  O  O50  1  0.000  0.500  0.780  1.0
  O  O51  1  0.000  0.500  0.533  1.0
[/CIF]
.
The crystal structure described by Ba8PrY3(Cu3O7)4 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(10), two equivalent O(11), and four equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(2), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(13), two equivalent O(3), two equivalent O(9), and four equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(14), two equivalent O(4), two equivalent O(9), and four equivalent O(8) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(14) and four equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(11), two equivalent O(13), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to four equivalent O(12) and four equivalent O(2) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(9) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(5), one O(6), and two equivalent O(10) atoms. In the third Cu site, Cu(3) is bonded to one O(5), two equivalent O(1), and two equivalent O(11) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(6), two equivalent O(12), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(7), two equivalent O(13), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the sixth Cu site, Cu(6) is bonded to one O(8), two equivalent O(14), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the seventh O site, O(7) is bonded to four equivalent Ba(3), one Cu(1), and one Cu(5) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eighth O site, O(8) is bonded to four equivalent Ba(4), one Cu(1), and one Cu(6) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the tenth O site, O(10) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(2) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms. is represented by the CIF card [CIF]
data_Ba8PrY3(Cu3O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.856
_cell_length_b   3.938
_cell_length_c   47.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   718.008
_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
  Ba  Ba0  1  0.500  0.500  0.170  1.0
  Ba  Ba1  1  0.500  0.500  0.920  1.0
  Ba  Ba2  1  0.500  0.500  0.670  1.0
  Ba  Ba3  1  0.500  0.500  0.420  1.0
  Ba  Ba4  1  0.500  0.500  0.330  1.0
  Ba  Ba5  1  0.500  0.500  0.080  1.0
  Ba  Ba6  1  0.500  0.500  0.830  1.0
  Ba  Ba7  1  0.500  0.500  0.580  1.0
  Pr  Pr8  1  0.500  0.500  0.500  1.0
  Y  Y9  1  0.500  0.500  0.250  1.0
  Y  Y10  1  0.500  0.500  0.000  1.0
  Y  Y11  1  0.500  0.500  0.750  1.0
  Cu  Cu12  1  0.000  0.000  0.375  1.0
  Cu  Cu13  1  0.000  0.000  0.125  1.0
  Cu  Cu14  1  0.000  0.000  0.875  1.0
  Cu  Cu15  1  0.000  0.000  0.625  1.0
  Cu  Cu16  1  0.000  0.000  0.213  1.0
  Cu  Cu17  1  0.000  0.000  0.963  1.0
  Cu  Cu18  1  0.000  0.000  0.713  1.0
  Cu  Cu19  1  0.000  0.000  0.461  1.0
  Cu  Cu20  1  0.000  0.000  0.287  1.0
  Cu  Cu21  1  0.000  0.000  0.037  1.0
  Cu  Cu22  1  0.000  0.000  0.787  1.0
  Cu  Cu23  1  0.000  0.000  0.539  1.0
  O  O24  1  0.500  0.000  0.220  1.0
  O  O25  1  0.500  0.000  0.970  1.0
  O  O26  1  0.500  0.000  0.720  1.0
  O  O27  1  0.500  0.000  0.467  1.0
  O  O28  1  0.500  0.000  0.280  1.0
  O  O29  1  0.500  0.000  0.030  1.0
  O  O30  1  0.500  0.000  0.780  1.0
  O  O31  1  0.500  0.000  0.533  1.0
  O  O32  1  0.000  0.000  0.165  1.0
  O  O33  1  0.000  0.000  0.915  1.0
  O  O34  1  0.000  0.000  0.665  1.0
  O  O35  1  0.000  0.000  0.414  1.0
  O  O36  1  0.000  0.000  0.335  1.0
  O  O37  1  0.000  0.000  0.085  1.0
  O  O38  1  0.000  0.000  0.835  1.0
  O  O39  1  0.000  0.000  0.586  1.0
  O  O40  1  0.000  0.500  0.375  1.0
  O  O41  1  0.000  0.500  0.125  1.0
  O  O42  1  0.000  0.500  0.875  1.0
  O  O43  1  0.000  0.500  0.625  1.0
  O  O44  1  0.000  0.500  0.220  1.0
  O  O45  1  0.000  0.500  0.970  1.0
  O  O46  1  0.000  0.500  0.720  1.0
  O  O47  1  0.000  0.500  0.467  1.0
  O  O48  1  0.000  0.500  0.280  1.0
  O  O49  1  0.000  0.500  0.030  1.0
  O  O50  1  0.000  0.500  0.780  1.0
  O  O51  1  0.000  0.500  0.533  1.0
[/CIF]
.