The material described by Pr2Cu2O5 crystallizes in the orthorhombic Pbam space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Cu(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Pr(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to four equivalent Pr(1) and two equivalent Cu(1) atoms to form edge-sharing OPr4Cu2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.887
_cell_length_b   5.573
_cell_length_c   10.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.173
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.500  0.822  0.142  1.0
  Pr  Pr1  1  0.500  0.178  0.858  1.0
  Pr  Pr2  1  0.500  0.322  0.358  1.0
  Pr  Pr3  1  0.500  0.678  0.642  1.0
  Cu  Cu4  1  0.000  0.799  0.399  1.0
  Cu  Cu5  1  0.000  0.201  0.601  1.0
  Cu  Cu6  1  0.000  0.299  0.101  1.0
  Cu  Cu7  1  0.000  0.701  0.899  1.0
  O  O8  1  0.500  0.774  0.396  1.0
  O  O9  1  0.500  0.226  0.604  1.0
  O  O10  1  0.500  0.274  0.104  1.0
  O  O11  1  0.500  0.726  0.896  1.0
  O  O12  1  0.000  0.081  0.291  1.0
  O  O13  1  0.000  0.919  0.709  1.0
  O  O14  1  0.000  0.581  0.209  1.0
  O  O15  1  0.000  0.419  0.791  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Pr2Cu2O5 crystallizes in the orthorhombic Pbam space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. Cu(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Pr(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to four equivalent Pr(1) and two equivalent Cu(1) atoms to form edge-sharing OPr4Cu2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.887
_cell_length_b   5.573
_cell_length_c   10.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.173
_cell_formula_units_Z   2
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
  Pr  Pr0  1  0.500  0.822  0.142  1.0
  Pr  Pr1  1  0.500  0.178  0.858  1.0
  Pr  Pr2  1  0.500  0.322  0.358  1.0
  Pr  Pr3  1  0.500  0.678  0.642  1.0
  Cu  Cu4  1  0.000  0.799  0.399  1.0
  Cu  Cu5  1  0.000  0.201  0.601  1.0
  Cu  Cu6  1  0.000  0.299  0.101  1.0
  Cu  Cu7  1  0.000  0.701  0.899  1.0
  O  O8  1  0.500  0.774  0.396  1.0
  O  O9  1  0.500  0.226  0.604  1.0
  O  O10  1  0.500  0.274  0.104  1.0
  O  O11  1  0.500  0.726  0.896  1.0
  O  O12  1  0.000  0.081  0.291  1.0
  O  O13  1  0.000  0.919  0.709  1.0
  O  O14  1  0.000  0.581  0.209  1.0
  O  O15  1  0.000  0.419  0.791  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.000  0.000  0.000  1.0
[/CIF]
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