The compound described by Nd5Cu5O13 crystallizes in the monoclinic P2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(2), and four equivalent O(3) atoms to form NdO12 cuboctahedra that share faces with two equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Cu(2)O5 square pyramids, and faces with four equivalent Cu(3)O5 square pyramids. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded in a 10-coordinate geometry to one O(5), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 square pyramids, and corners with two equivalent Cu(3)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 square pyramids, corners with two equivalent Cu(3)O5 square pyramids, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 square pyramids, corners with two equivalent Cu(3)O5 square pyramids, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent Nd(3), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner, face, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner, face, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Nd(1), one Nd(2), two equivalent Nd(3), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded to two equivalent Nd(2), two equivalent Nd(3), and two equivalent Cu(1) atoms to form distorted corner-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Nd5Cu5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.458
_cell_length_b   3.842
_cell_length_c   8.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.275
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.286
_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
  Nd  Nd0  1  0.500  0.500  0.500  1.0
  Nd  Nd1  1  0.857  0.500  0.270  1.0
  Nd  Nd2  1  0.143  0.500  0.730  1.0
  Nd  Nd3  1  0.733  0.500  0.854  1.0
  Nd  Nd4  1  0.267  0.500  0.146  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.841  0.000  0.573  1.0
  Cu  Cu7  1  0.159  0.000  0.427  1.0
  Cu  Cu8  1  0.571  0.000  0.166  1.0
  Cu  Cu9  1  0.429  0.000  0.834  1.0
  O  O10  1  0.950  0.000  0.768  1.0
  O  O11  1  0.050  0.000  0.232  1.0
  O  O12  1  0.611  0.000  0.703  1.0
  O  O13  1  0.389  0.000  0.297  1.0
  O  O14  1  0.713  0.000  0.389  1.0
  O  O15  1  0.287  0.000  0.611  1.0
  O  O16  1  0.761  0.000  0.047  1.0
  O  O17  1  0.239  0.000  0.953  1.0
  O  O18  1  0.829  0.500  0.575  1.0
  O  O19  1  0.171  0.500  0.425  1.0
  O  O20  1  0.570  0.500  0.185  1.0
  O  O21  1  0.430  0.500  0.815  1.0
  O  O22  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Nd5Cu5O13 crystallizes in the monoclinic P2/m space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(5), two equivalent O(6), four equivalent O(2), and four equivalent O(3) atoms to form NdO12 cuboctahedra that share faces with two equivalent Nd(1)O12 cuboctahedra, faces with four equivalent Cu(2)O5 square pyramids, and faces with four equivalent Cu(3)O5 square pyramids. In the second Nd site, Nd(2) is bonded in a 10-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the third Nd site, Nd(3) is bonded in a 10-coordinate geometry to one O(5), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 square pyramids, and corners with two equivalent Cu(3)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 square pyramids, corners with two equivalent Cu(3)O5 square pyramids, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(2)O5 square pyramids, corners with two equivalent Cu(3)O5 square pyramids, and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent Nd(3), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner, face, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted corner, face, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Nd(2), two equivalent Nd(3), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Nd(1), one Nd(3), two equivalent Nd(2), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Nd(1), one Nd(2), two equivalent Nd(3), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded to two equivalent Nd(2), two equivalent Nd(3), and two equivalent Cu(1) atoms to form distorted corner-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Nd5Cu5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.458
_cell_length_b   3.842
_cell_length_c   8.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.275
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.286
_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
  Nd  Nd0  1  0.500  0.500  0.500  1.0
  Nd  Nd1  1  0.857  0.500  0.270  1.0
  Nd  Nd2  1  0.143  0.500  0.730  1.0
  Nd  Nd3  1  0.733  0.500  0.854  1.0
  Nd  Nd4  1  0.267  0.500  0.146  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  Cu  Cu6  1  0.841  0.000  0.573  1.0
  Cu  Cu7  1  0.159  0.000  0.427  1.0
  Cu  Cu8  1  0.571  0.000  0.166  1.0
  Cu  Cu9  1  0.429  0.000  0.834  1.0
  O  O10  1  0.950  0.000  0.768  1.0
  O  O11  1  0.050  0.000  0.232  1.0
  O  O12  1  0.611  0.000  0.703  1.0
  O  O13  1  0.389  0.000  0.297  1.0
  O  O14  1  0.713  0.000  0.389  1.0
  O  O15  1  0.287  0.000  0.611  1.0
  O  O16  1  0.761  0.000  0.047  1.0
  O  O17  1  0.239  0.000  0.953  1.0
  O  O18  1  0.829  0.500  0.575  1.0
  O  O19  1  0.171  0.500  0.425  1.0
  O  O20  1  0.570  0.500  0.185  1.0
  O  O21  1  0.430  0.500  0.815  1.0
  O  O22  1  0.000  0.500  0.000  1.0
[/CIF]
.