The crystal structure described by Nd2Cu2O5 crystallizes in the monoclinic C2/c space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(8) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form distorted CuO6 octahedra that share corners with three equivalent Cu(1)O6 octahedra and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-1°. In the second Cu site, Cu(2) is bonded to one O(5), one O(6), and three equivalent O(3) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 trigonal bipyramids, and edges with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(7), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(2), two equivalent Nd(3), and two equivalent Cu(1) atoms to form distorted ONd4Cu2 octahedra that share corners with two equivalent O(1)Nd4Cu2 octahedra, corners with four equivalent O(8)Nd5Cu octahedra, corners with two equivalent O(6)Nd2Cu3 trigonal bipyramids,  an edgeedge with one O(1)Nd4Cu2 octahedra, faces with two equivalent O(4)Nd4Cu2 octahedra, faces with two equivalent O(5)Nd4Cu2 octahedra, and faces with two equivalent O(8)Nd5Cu octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Nd(3), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), one Nd(2), one Cu(3), and three equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Nd(3) and two equivalent Cu(1) atoms to form distorted ONd4Cu2 octahedra that share corners with two equivalent O(5)Nd4Cu2 octahedra, corners with eight equivalent O(8)Nd5Cu octahedra, edges with two equivalent O(4)Nd4Cu2 octahedra, faces with two equivalent O(8)Nd5Cu octahedra, and faces with four equivalent O(1)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the fifth O site, O(5) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Cu(1), and one Cu(2) atom to form distorted ONd4Cu2 octahedra that share  a cornercorner with one O(4)Nd4Cu2 octahedra, corners with two equivalent O(8)Nd5Cu octahedra, corners with two equivalent O(6)Nd2Cu3 trigonal bipyramids, edges with two equivalent O(5)Nd4Cu2 octahedra,  a faceface with one O(8)Nd5Cu octahedra, faces with two equivalent O(1)Nd4Cu2 octahedra, and  a faceface with one O(6)Nd2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-50°. In the sixth O site, O(6) is bonded to two equivalent Nd(2), one Cu(2), and two equivalent Cu(3) atoms to form distorted ONd2Cu3 trigonal bipyramids that share corners with two equivalent O(1)Nd4Cu2 octahedra, corners with two equivalent O(5)Nd4Cu2 octahedra, corners with two equivalent O(6)Nd2Cu3 trigonal bipyramids,  an edgeedge with one O(6)Nd2Cu3 trigonal bipyramid, and  a faceface with one O(5)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Cu(3) atom. In the eighth O site, O(8) is bonded to two equivalent Nd(1), three equivalent Nd(3), and one Cu(1) atom to form distorted ONd5Cu octahedra that share corners with two equivalent O(5)Nd4Cu2 octahedra, corners with four equivalent O(1)Nd4Cu2 octahedra, corners with four equivalent O(4)Nd4Cu2 octahedra, edges with four equivalent O(8)Nd5Cu octahedra,  a faceface with one O(4)Nd4Cu2 octahedra,  a faceface with one O(5)Nd4Cu2 octahedra, and faces with two equivalent O(1)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. is represented by the CIF file [CIF]
data_Nd2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.134
_cell_length_b   7.134
_cell_length_c   27.291
_cell_angle_alpha   77.574
_cell_angle_beta   77.574
_cell_angle_gamma   30.167
_symmetry_Int_Tables_number   1
_cell_volume   680.480
_cell_formula_units_Z   6
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
  Nd  Nd0  1  0.575  0.118  0.636  1.0
  Nd  Nd1  1  0.095  0.658  0.402  1.0
  Nd  Nd2  1  0.425  0.882  0.364  1.0
  Nd  Nd3  1  0.882  0.425  0.864  1.0
  Nd  Nd4  1  0.118  0.575  0.136  1.0
  Nd  Nd5  1  0.885  0.392  0.732  1.0
  Nd  Nd6  1  0.115  0.608  0.268  1.0
  Nd  Nd7  1  0.905  0.342  0.598  1.0
  Nd  Nd8  1  0.608  0.115  0.768  1.0
  Nd  Nd9  1  0.342  0.905  0.098  1.0
  Nd  Nd10  1  0.392  0.885  0.232  1.0
  Nd  Nd11  1  0.658  0.095  0.902  1.0
  Cu  Cu12  1  0.248  0.739  0.681  1.0
  Cu  Cu13  1  0.261  0.724  0.539  1.0
  Cu  Cu14  1  0.276  0.739  0.961  1.0
  Cu  Cu15  1  0.292  0.081  0.470  1.0
  Cu  Cu16  1  0.919  0.708  0.030  1.0
  Cu  Cu17  1  0.261  0.752  0.819  1.0
  Cu  Cu18  1  0.724  0.261  0.039  1.0
  Cu  Cu19  1  0.739  0.276  0.461  1.0
  Cu  Cu20  1  0.752  0.261  0.319  1.0
  Cu  Cu21  1  0.708  0.919  0.530  1.0
  Cu  Cu22  1  0.081  0.292  0.970  1.0
  Cu  Cu23  1  0.739  0.248  0.181  1.0
  O  O24  1  0.251  0.758  0.320  1.0
  O  O25  1  0.387  0.957  0.665  1.0
  O  O26  1  0.758  0.251  0.820  1.0
  O  O27  1  0.280  0.815  0.462  1.0
  O  O28  1  0.746  0.254  0.250  1.0
  O  O29  1  0.719  0.259  0.111  1.0
  O  O30  1  0.879  0.458  0.039  1.0
  O  O31  1  0.749  0.242  0.680  1.0
  O  O32  1  0.002  0.584  0.590  1.0
  O  O33  1  0.044  0.585  0.709  1.0
  O  O34  1  0.242  0.749  0.180  1.0
  O  O35  1  0.043  0.613  0.835  1.0
  O  O36  1  0.259  0.719  0.611  1.0
  O  O37  1  0.281  0.741  0.889  1.0
  O  O38  1  0.415  0.956  0.791  1.0
  O  O39  1  0.185  0.720  0.038  1.0
  O  O40  1  0.998  0.416  0.410  1.0
  O  O41  1  0.254  0.746  0.750  1.0
  O  O42  1  0.584  0.002  0.090  1.0
  O  O43  1  0.720  0.185  0.538  1.0
  O  O44  1  0.815  0.280  0.962  1.0
  O  O45  1  0.585  0.044  0.209  1.0
  O  O46  1  0.957  0.387  0.165  1.0
  O  O47  1  0.458  0.879  0.539  1.0
  O  O48  1  0.542  0.121  0.461  1.0
  O  O49  1  0.121  0.542  0.961  1.0
  O  O50  1  0.956  0.415  0.291  1.0
  O  O51  1  0.741  0.281  0.389  1.0
  O  O52  1  0.416  0.998  0.910  1.0
  O  O53  1  0.613  0.043  0.335  1.0
[/CIF]
.
The crystal structure described by Nd2Cu2O5 crystallizes in the monoclinic C2/c space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and three equivalent O(8) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form distorted CuO6 octahedra that share corners with three equivalent Cu(1)O6 octahedra and  a cornercorner with one Cu(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-1°. In the second Cu site, Cu(2) is bonded to one O(5), one O(6), and three equivalent O(3) atoms to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 trigonal bipyramids, and edges with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(7), and two equivalent O(6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(2), two equivalent Nd(3), and two equivalent Cu(1) atoms to form distorted ONd4Cu2 octahedra that share corners with two equivalent O(1)Nd4Cu2 octahedra, corners with four equivalent O(8)Nd5Cu octahedra, corners with two equivalent O(6)Nd2Cu3 trigonal bipyramids,  an edgeedge with one O(1)Nd4Cu2 octahedra, faces with two equivalent O(4)Nd4Cu2 octahedra, faces with two equivalent O(5)Nd4Cu2 octahedra, and faces with two equivalent O(8)Nd5Cu octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Nd(3), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), one Nd(2), one Cu(3), and three equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Nd(3) and two equivalent Cu(1) atoms to form distorted ONd4Cu2 octahedra that share corners with two equivalent O(5)Nd4Cu2 octahedra, corners with eight equivalent O(8)Nd5Cu octahedra, edges with two equivalent O(4)Nd4Cu2 octahedra, faces with two equivalent O(8)Nd5Cu octahedra, and faces with four equivalent O(1)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the fifth O site, O(5) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Cu(1), and one Cu(2) atom to form distorted ONd4Cu2 octahedra that share  a cornercorner with one O(4)Nd4Cu2 octahedra, corners with two equivalent O(8)Nd5Cu octahedra, corners with two equivalent O(6)Nd2Cu3 trigonal bipyramids, edges with two equivalent O(5)Nd4Cu2 octahedra,  a faceface with one O(8)Nd5Cu octahedra, faces with two equivalent O(1)Nd4Cu2 octahedra, and  a faceface with one O(6)Nd2Cu3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-50°. In the sixth O site, O(6) is bonded to two equivalent Nd(2), one Cu(2), and two equivalent Cu(3) atoms to form distorted ONd2Cu3 trigonal bipyramids that share corners with two equivalent O(1)Nd4Cu2 octahedra, corners with two equivalent O(5)Nd4Cu2 octahedra, corners with two equivalent O(6)Nd2Cu3 trigonal bipyramids,  an edgeedge with one O(6)Nd2Cu3 trigonal bipyramid, and  a faceface with one O(5)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Cu(3) atom. In the eighth O site, O(8) is bonded to two equivalent Nd(1), three equivalent Nd(3), and one Cu(1) atom to form distorted ONd5Cu octahedra that share corners with two equivalent O(5)Nd4Cu2 octahedra, corners with four equivalent O(1)Nd4Cu2 octahedra, corners with four equivalent O(4)Nd4Cu2 octahedra, edges with four equivalent O(8)Nd5Cu octahedra,  a faceface with one O(4)Nd4Cu2 octahedra,  a faceface with one O(5)Nd4Cu2 octahedra, and faces with two equivalent O(1)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. is represented by the CIF file [CIF]
data_Nd2Cu2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.134
_cell_length_b   7.134
_cell_length_c   27.291
_cell_angle_alpha   77.574
_cell_angle_beta   77.574
_cell_angle_gamma   30.167
_symmetry_Int_Tables_number   1
_cell_volume   680.480
_cell_formula_units_Z   6
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
  Nd  Nd0  1  0.575  0.118  0.636  1.0
  Nd  Nd1  1  0.095  0.658  0.402  1.0
  Nd  Nd2  1  0.425  0.882  0.364  1.0
  Nd  Nd3  1  0.882  0.425  0.864  1.0
  Nd  Nd4  1  0.118  0.575  0.136  1.0
  Nd  Nd5  1  0.885  0.392  0.732  1.0
  Nd  Nd6  1  0.115  0.608  0.268  1.0
  Nd  Nd7  1  0.905  0.342  0.598  1.0
  Nd  Nd8  1  0.608  0.115  0.768  1.0
  Nd  Nd9  1  0.342  0.905  0.098  1.0
  Nd  Nd10  1  0.392  0.885  0.232  1.0
  Nd  Nd11  1  0.658  0.095  0.902  1.0
  Cu  Cu12  1  0.248  0.739  0.681  1.0
  Cu  Cu13  1  0.261  0.724  0.539  1.0
  Cu  Cu14  1  0.276  0.739  0.961  1.0
  Cu  Cu15  1  0.292  0.081  0.470  1.0
  Cu  Cu16  1  0.919  0.708  0.030  1.0
  Cu  Cu17  1  0.261  0.752  0.819  1.0
  Cu  Cu18  1  0.724  0.261  0.039  1.0
  Cu  Cu19  1  0.739  0.276  0.461  1.0
  Cu  Cu20  1  0.752  0.261  0.319  1.0
  Cu  Cu21  1  0.708  0.919  0.530  1.0
  Cu  Cu22  1  0.081  0.292  0.970  1.0
  Cu  Cu23  1  0.739  0.248  0.181  1.0
  O  O24  1  0.251  0.758  0.320  1.0
  O  O25  1  0.387  0.957  0.665  1.0
  O  O26  1  0.758  0.251  0.820  1.0
  O  O27  1  0.280  0.815  0.462  1.0
  O  O28  1  0.746  0.254  0.250  1.0
  O  O29  1  0.719  0.259  0.111  1.0
  O  O30  1  0.879  0.458  0.039  1.0
  O  O31  1  0.749  0.242  0.680  1.0
  O  O32  1  0.002  0.584  0.590  1.0
  O  O33  1  0.044  0.585  0.709  1.0
  O  O34  1  0.242  0.749  0.180  1.0
  O  O35  1  0.043  0.613  0.835  1.0
  O  O36  1  0.259  0.719  0.611  1.0
  O  O37  1  0.281  0.741  0.889  1.0
  O  O38  1  0.415  0.956  0.791  1.0
  O  O39  1  0.185  0.720  0.038  1.0
  O  O40  1  0.998  0.416  0.410  1.0
  O  O41  1  0.254  0.746  0.750  1.0
  O  O42  1  0.584  0.002  0.090  1.0
  O  O43  1  0.720  0.185  0.538  1.0
  O  O44  1  0.815  0.280  0.962  1.0
  O  O45  1  0.585  0.044  0.209  1.0
  O  O46  1  0.957  0.387  0.165  1.0
  O  O47  1  0.458  0.879  0.539  1.0
  O  O48  1  0.542  0.121  0.461  1.0
  O  O49  1  0.121  0.542  0.961  1.0
  O  O50  1  0.956  0.415  0.291  1.0
  O  O51  1  0.741  0.281  0.389  1.0
  O  O52  1  0.416  0.998  0.910  1.0
  O  O53  1  0.613  0.043  0.335  1.0
[/CIF]
.