The crystal structure described by Ba4PrY(Cu3O7)2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(5) atoms. Y(1) is bonded in a body-centered cubic geometry to four 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(1), one O(4), one O(5), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(2) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(1) atoms. In the third O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the fourth O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Y(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ba4PrY(Cu3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.494
_cell_length_b   12.494
_cell_length_c   3.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.902
_symmetry_Int_Tables_number   1
_cell_volume   363.294
_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  0.340  0.660  0.500  1.0
  Ba  Ba1  1  0.840  0.160  0.500  1.0
  Ba  Ba2  1  0.660  0.340  0.500  1.0
  Ba  Ba3  1  0.160  0.840  0.500  1.0
  Pr  Pr4  1  0.500  0.500  0.500  1.0
  Y  Y5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.678  0.828  0.000  1.0
  Cu  Cu7  1  0.172  0.322  0.000  1.0
  Cu  Cu8  1  0.828  0.678  0.000  1.0
  Cu  Cu9  1  0.322  0.172  0.000  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.579  0.921  0.000  1.0
  O  O13  1  0.079  0.421  0.000  1.0
  O  O14  1  0.921  0.579  0.000  1.0
  O  O15  1  0.421  0.079  0.000  1.0
  O  O16  1  0.696  0.822  0.500  1.0
  O  O17  1  0.178  0.304  0.500  1.0
  O  O18  1  0.822  0.696  0.500  1.0
  O  O19  1  0.304  0.178  0.500  1.0
  O  O20  1  0.500  0.000  0.500  1.0
  O  O21  1  0.000  0.500  0.500  1.0
  O  O22  1  0.940  0.060  0.000  1.0
  O  O23  1  0.435  0.565  0.000  1.0
  O  O24  1  0.060  0.940  0.000  1.0
  O  O25  1  0.565  0.435  0.000  1.0
[/CIF]
.
The crystal structure described by Ba4PrY(Cu3O7)2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(5) atoms. Y(1) is bonded in a body-centered cubic geometry to four 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(1), one O(4), one O(5), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(2) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(1) atoms. In the third O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the fourth O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge, corner, and face-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fifth O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Y(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ba4PrY(Cu3O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.494
_cell_length_b   12.494
_cell_length_c   3.950
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.902
_symmetry_Int_Tables_number   1
_cell_volume   363.294
_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  0.340  0.660  0.500  1.0
  Ba  Ba1  1  0.840  0.160  0.500  1.0
  Ba  Ba2  1  0.660  0.340  0.500  1.0
  Ba  Ba3  1  0.160  0.840  0.500  1.0
  Pr  Pr4  1  0.500  0.500  0.500  1.0
  Y  Y5  1  0.000  0.000  0.500  1.0
  Cu  Cu6  1  0.678  0.828  0.000  1.0
  Cu  Cu7  1  0.172  0.322  0.000  1.0
  Cu  Cu8  1  0.828  0.678  0.000  1.0
  Cu  Cu9  1  0.322  0.172  0.000  1.0
  Cu  Cu10  1  0.500  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.579  0.921  0.000  1.0
  O  O13  1  0.079  0.421  0.000  1.0
  O  O14  1  0.921  0.579  0.000  1.0
  O  O15  1  0.421  0.079  0.000  1.0
  O  O16  1  0.696  0.822  0.500  1.0
  O  O17  1  0.178  0.304  0.500  1.0
  O  O18  1  0.822  0.696  0.500  1.0
  O  O19  1  0.304  0.178  0.500  1.0
  O  O20  1  0.500  0.000  0.500  1.0
  O  O21  1  0.000  0.500  0.500  1.0
  O  O22  1  0.940  0.060  0.000  1.0
  O  O23  1  0.435  0.565  0.000  1.0
  O  O24  1  0.060  0.940  0.000  1.0
  O  O25  1  0.565  0.435  0.000  1.0
[/CIF]
.