The structure described by Ba4Pr2(Cu2O5)3 crystallizes in the orthorhombic Fmmm space group. Ba(1) is bonded in a 11-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(2) atom to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(3)Ba2Pr2Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, corners with five equivalent O(1)Ba4Cu2 octahedra, edges with four equivalent O(1)Ba4Cu2 octahedra,  a faceface with one O(3)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(6)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 8-66°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(2) atoms to form distorted OBa2Pr2Cu2 octahedra that share corners with two equivalent O(3)Ba2Pr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(6)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2Pr2Cu2 octahedra, corners with eight equivalent O(1)Ba4Cu2 octahedra, edges with two equivalent O(6)Ba4Cu2 octahedra, and faces with four equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Pr2(Cu2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   5.627
_cell_length_c   12.348
_cell_angle_alpha   76.723
_cell_angle_beta   76.723
_cell_angle_gamma   89.548
_symmetry_Int_Tables_number   1
_cell_volume   369.919
_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  0.096  0.580  0.825  1.0
  Ba  Ba1  1  0.580  0.096  0.825  1.0
  Ba  Ba2  1  0.404  0.920  0.175  1.0
  Ba  Ba3  1  0.920  0.404  0.175  1.0
  Pr  Pr4  1  0.250  0.750  0.500  1.0
  Pr  Pr5  1  0.750  0.250  0.500  1.0
  Cu  Cu6  1  0.490  0.490  0.000  1.0
  Cu  Cu7  1  0.010  0.010  0.000  1.0
  Cu  Cu8  1  0.171  0.171  0.655  1.0
  Cu  Cu9  1  0.674  0.674  0.655  1.0
  Cu  Cu10  1  0.329  0.329  0.345  1.0
  Cu  Cu11  1  0.826  0.826  0.345  1.0
  O  O12  1  0.065  0.065  0.838  1.0
  O  O13  1  0.598  0.598  0.838  1.0
  O  O14  1  0.435  0.435  0.162  1.0
  O  O15  1  0.902  0.902  0.162  1.0
  O  O16  1  0.935  0.935  0.629  1.0
  O  O17  1  0.433  0.433  0.634  1.0
  O  O18  1  0.435  0.935  0.630  1.0
  O  O19  1  0.935  0.435  0.630  1.0
  O  O20  1  0.067  0.067  0.366  1.0
  O  O21  1  0.565  0.565  0.371  1.0
  O  O22  1  0.565  0.065  0.370  1.0
  O  O23  1  0.065  0.565  0.370  1.0
  O  O24  1  0.250  0.250  0.000  1.0
  O  O25  1  0.250  0.750  0.000  1.0
  O  O26  1  0.750  0.250  0.000  1.0
[/CIF]
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The structure described by Ba4Pr2(Cu2O5)3 crystallizes in the orthorhombic Fmmm space group. Ba(1) is bonded in a 11-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(2) atom to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(3)Ba2Pr2Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, corners with five equivalent O(1)Ba4Cu2 octahedra, edges with four equivalent O(1)Ba4Cu2 octahedra,  a faceface with one O(3)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(6)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 8-66°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(2) atoms to form distorted OBa2Pr2Cu2 octahedra that share corners with two equivalent O(3)Ba2Pr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Ba(1) and two equivalent Cu(1) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(6)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2Pr2Cu2 octahedra, corners with eight equivalent O(1)Ba4Cu2 octahedra, edges with two equivalent O(6)Ba4Cu2 octahedra, and faces with four equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Pr2(Cu2O5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   5.627
_cell_length_c   12.348
_cell_angle_alpha   76.723
_cell_angle_beta   76.723
_cell_angle_gamma   89.548
_symmetry_Int_Tables_number   1
_cell_volume   369.919
_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  0.096  0.580  0.825  1.0
  Ba  Ba1  1  0.580  0.096  0.825  1.0
  Ba  Ba2  1  0.404  0.920  0.175  1.0
  Ba  Ba3  1  0.920  0.404  0.175  1.0
  Pr  Pr4  1  0.250  0.750  0.500  1.0
  Pr  Pr5  1  0.750  0.250  0.500  1.0
  Cu  Cu6  1  0.490  0.490  0.000  1.0
  Cu  Cu7  1  0.010  0.010  0.000  1.0
  Cu  Cu8  1  0.171  0.171  0.655  1.0
  Cu  Cu9  1  0.674  0.674  0.655  1.0
  Cu  Cu10  1  0.329  0.329  0.345  1.0
  Cu  Cu11  1  0.826  0.826  0.345  1.0
  O  O12  1  0.065  0.065  0.838  1.0
  O  O13  1  0.598  0.598  0.838  1.0
  O  O14  1  0.435  0.435  0.162  1.0
  O  O15  1  0.902  0.902  0.162  1.0
  O  O16  1  0.935  0.935  0.629  1.0
  O  O17  1  0.433  0.433  0.634  1.0
  O  O18  1  0.435  0.935  0.630  1.0
  O  O19  1  0.935  0.435  0.630  1.0
  O  O20  1  0.067  0.067  0.366  1.0
  O  O21  1  0.565  0.565  0.371  1.0
  O  O22  1  0.565  0.065  0.370  1.0
  O  O23  1  0.065  0.565  0.370  1.0
  O  O24  1  0.250  0.250  0.000  1.0
  O  O25  1  0.250  0.750  0.000  1.0
  O  O26  1  0.750  0.250  0.000  1.0
[/CIF]
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