The crystal structure described by BaPrCu2O5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(9), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent O(10), two equivalent O(4), two equivalent O(5), two equivalent O(9), and four equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with two equivalent Pr(3)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Cu(3)O5 square pyramids. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent O(6), two equivalent O(8), two equivalent O(9), and four equivalent O(2) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Pr site, Pr(3) is bonded to two equivalent O(10), two equivalent O(7), two equivalent O(8), two equivalent O(9), and four equivalent O(2) atoms to form distorted PrO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, faces with four equivalent Cu(2)O5 square pyramids, and faces with four equivalent Cu(3)O5 square pyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with four equivalent Cu(1)O5 square pyramids, and faces with two equivalent Ba(2)O12 cuboctahedra. In the second Cu site, Cu(2) is bonded to one O(2), one O(6), one O(7), and two equivalent O(8) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with four equivalent Cu(2)O5 square pyramids, and faces with two equivalent Pr(3)O12 cuboctahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(10), one O(2), and two equivalent O(9) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(2)O5 square pyramid, corners with three equivalent Cu(3)O5 square pyramids, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(9)Ba3PrCu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(9)Ba3PrCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the second O site, O(2) is bonded to two equivalent Ba(3), two equivalent Pr(3), one Cu(2), and one Cu(3) atom to form distorted OBa2Pr2Cu2 octahedra that share  a cornercorner with one O(1)Ba4Cu2 octahedra, corners with two equivalent O(6)Ba2Pr2Cu2 octahedra, corners with four equivalent O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(9)Ba3PrCu2 octahedra, edges with four equivalent O(2)Ba2Pr2Cu2 octahedra,  a faceface with one O(6)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(9)Ba3PrCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the third O site, O(3) 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(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(2), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Pr(2), and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Ba(3), two equivalent Pr(1), and two equivalent Cu(2) atoms to form distorted OBa2Pr2Cu2 octahedra that share corners with four equivalent O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(9)Ba3PrCu2 octahedra, edges with two equivalent O(6)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(2)Ba2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), and two equivalent Cu(2) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(3), one Pr(1), one Pr(2), one Pr(3), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one Ba(3), one Pr(3), and two equivalent Cu(3) atoms to form distorted OBa3PrCu2 octahedra that share corners with two equivalent O(6)Ba2Pr2Cu2 octahedra, corners with two equivalent O(9)Ba3PrCu2 octahedra, corners with four equivalent O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, edges with two equivalent O(9)Ba3PrCu2 octahedra, faces with two equivalent O(2)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 9-67°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(3), and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_BaPrCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   7.901
_cell_length_c   11.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.491
_cell_formula_units_Z   3
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  0.000  0.819  1.0
  Ba  Ba1  1  0.500  0.500  0.828  1.0
  Ba  Ba2  1  0.500  0.000  0.182  1.0
  Pr  Pr3  1  0.500  0.000  0.499  1.0
  Pr  Pr4  1  0.500  0.500  0.496  1.0
  Pr  Pr5  1  0.500  0.500  0.155  1.0
  Cu  Cu6  1  0.000  0.749  0.655  1.0
  Cu  Cu7  1  0.000  0.251  0.655  1.0
  Cu  Cu8  1  0.000  0.747  0.345  1.0
  Cu  Cu9  1  0.000  0.253  0.345  1.0
  Cu  Cu10  1  0.000  0.746  0.000  1.0
  Cu  Cu11  1  0.000  0.254  0.000  1.0
  O  O12  1  0.000  0.761  0.839  1.0
  O  O13  1  0.000  0.239  0.839  1.0
  O  O14  1  0.000  0.735  0.165  1.0
  O  O15  1  0.000  0.265  0.165  1.0
  O  O16  1  0.000  0.000  0.631  1.0
  O  O17  1  0.000  0.500  0.629  1.0
  O  O18  1  0.500  0.751  0.629  1.0
  O  O19  1  0.500  0.249  0.629  1.0
  O  O20  1  0.000  0.000  0.366  1.0
  O  O21  1  0.000  0.500  0.360  1.0
  O  O22  1  0.500  0.747  0.365  1.0
  O  O23  1  0.500  0.253  0.365  1.0
  O  O24  1  0.500  0.755  0.011  1.0
  O  O25  1  0.500  0.245  0.011  1.0
  O  O26  1  0.000  0.500  0.016  1.0
[/CIF]
.
The crystal structure described by BaPrCu2O5 crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(9), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded to two equivalent O(10), two equivalent O(4), two equivalent O(5), two equivalent O(9), and four equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with two equivalent Pr(3)O12 cuboctahedra,  a faceface with one Pr(3)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Cu(1)O5 square pyramids, and faces with four equivalent Cu(3)O5 square pyramids. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent O(6), two equivalent O(8), two equivalent O(9), and four equivalent O(2) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to two equivalent O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the third Pr site, Pr(3) is bonded to two equivalent O(10), two equivalent O(7), two equivalent O(8), two equivalent O(9), and four equivalent O(2) atoms to form distorted PrO12 cuboctahedra that share corners with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with two equivalent Pr(3)O12 cuboctahedra, faces with four equivalent Cu(2)O5 square pyramids, and faces with four equivalent Cu(3)O5 square pyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with four equivalent Cu(1)O5 square pyramids, and faces with two equivalent Ba(2)O12 cuboctahedra. In the second Cu site, Cu(2) is bonded to one O(2), one O(6), one O(7), and two equivalent O(8) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with four equivalent Cu(2)O5 square pyramids, and faces with two equivalent Pr(3)O12 cuboctahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(10), one O(2), and two equivalent O(9) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(2)O5 square pyramid, corners with three equivalent Cu(3)O5 square pyramids, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Pr(3)O12 cuboctahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(9)Ba3PrCu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(9)Ba3PrCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the second O site, O(2) is bonded to two equivalent Ba(3), two equivalent Pr(3), one Cu(2), and one Cu(3) atom to form distorted OBa2Pr2Cu2 octahedra that share  a cornercorner with one O(1)Ba4Cu2 octahedra, corners with two equivalent O(6)Ba2Pr2Cu2 octahedra, corners with four equivalent O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(9)Ba3PrCu2 octahedra, edges with four equivalent O(2)Ba2Pr2Cu2 octahedra,  a faceface with one O(6)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(9)Ba3PrCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the third O site, O(3) 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(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(2), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), one Pr(2), and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Ba(3), two equivalent Pr(1), and two equivalent Cu(2) atoms to form distorted OBa2Pr2Cu2 octahedra that share corners with four equivalent O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(9)Ba3PrCu2 octahedra, edges with two equivalent O(6)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(2)Ba2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), and two equivalent Cu(2) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(3), one Pr(1), one Pr(2), one Pr(3), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one Ba(3), one Pr(3), and two equivalent Cu(3) atoms to form distorted OBa3PrCu2 octahedra that share corners with two equivalent O(6)Ba2Pr2Cu2 octahedra, corners with two equivalent O(9)Ba3PrCu2 octahedra, corners with four equivalent O(2)Ba2Pr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, edges with two equivalent O(9)Ba3PrCu2 octahedra, faces with two equivalent O(2)Ba2Pr2Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 9-67°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(3), and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_BaPrCu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   7.901
_cell_length_c   11.694
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.491
_cell_formula_units_Z   3
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  0.000  0.819  1.0
  Ba  Ba1  1  0.500  0.500  0.828  1.0
  Ba  Ba2  1  0.500  0.000  0.182  1.0
  Pr  Pr3  1  0.500  0.000  0.499  1.0
  Pr  Pr4  1  0.500  0.500  0.496  1.0
  Pr  Pr5  1  0.500  0.500  0.155  1.0
  Cu  Cu6  1  0.000  0.749  0.655  1.0
  Cu  Cu7  1  0.000  0.251  0.655  1.0
  Cu  Cu8  1  0.000  0.747  0.345  1.0
  Cu  Cu9  1  0.000  0.253  0.345  1.0
  Cu  Cu10  1  0.000  0.746  0.000  1.0
  Cu  Cu11  1  0.000  0.254  0.000  1.0
  O  O12  1  0.000  0.761  0.839  1.0
  O  O13  1  0.000  0.239  0.839  1.0
  O  O14  1  0.000  0.735  0.165  1.0
  O  O15  1  0.000  0.265  0.165  1.0
  O  O16  1  0.000  0.000  0.631  1.0
  O  O17  1  0.000  0.500  0.629  1.0
  O  O18  1  0.500  0.751  0.629  1.0
  O  O19  1  0.500  0.249  0.629  1.0
  O  O20  1  0.000  0.000  0.366  1.0
  O  O21  1  0.000  0.500  0.360  1.0
  O  O22  1  0.500  0.747  0.365  1.0
  O  O23  1  0.500  0.253  0.365  1.0
  O  O24  1  0.500  0.755  0.011  1.0
  O  O25  1  0.500  0.245  0.011  1.0
  O  O26  1  0.000  0.500  0.016  1.0
[/CIF]
.