The structure described by Nd5Cu5O13 crystallizes in the tetragonal P4/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NdO12 cuboctahedra that share faces with two equivalent Nd(2)O12 cuboctahedra and faces with eight equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with two equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. In the second Cu site, Cu(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(2), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Nd(1) and two equivalent Cu(2) atoms to form corner-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. is represented by the CIF file [CIF]
data_Nd5Cu5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.476
_cell_length_b   8.476
_cell_length_c   3.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.525
_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  0.847  0.737  0.500  1.0
  Nd  Nd1  1  0.263  0.847  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.153  0.263  0.500  1.0
  Nd  Nd4  1  0.737  0.153  0.500  1.0
  Cu  Cu5  1  0.434  0.160  0.000  1.0
  Cu  Cu6  1  0.566  0.840  0.000  1.0
  Cu  Cu7  1  0.160  0.566  0.000  1.0
  Cu  Cu8  1  0.840  0.434  0.000  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.701  0.612  0.000  1.0
  O  O11  1  0.241  0.042  0.000  1.0
  O  O12  1  0.434  0.180  0.500  1.0
  O  O13  1  0.299  0.388  0.000  1.0
  O  O14  1  0.820  0.434  0.500  1.0
  O  O15  1  0.759  0.958  0.000  1.0
  O  O16  1  0.958  0.241  0.000  1.0
  O  O17  1  0.612  0.299  0.000  1.0
  O  O18  1  0.388  0.701  0.000  1.0
  O  O19  1  0.180  0.566  0.500  1.0
  O  O20  1  0.042  0.759  0.000  1.0
  O  O21  1  0.000  0.000  0.500  1.0
  O  O22  1  0.566  0.820  0.500  1.0
[/CIF]
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The structure described by Nd5Cu5O13 crystallizes in the tetragonal P4/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NdO12 cuboctahedra that share faces with two equivalent Nd(2)O12 cuboctahedra and faces with eight equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with two equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. In the second Cu site, Cu(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(2), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Nd(1) and two equivalent Cu(2) atoms to form corner-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. is represented by the CIF file [CIF]
data_Nd5Cu5O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.476
_cell_length_b   8.476
_cell_length_c   3.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.525
_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  0.847  0.737  0.500  1.0
  Nd  Nd1  1  0.263  0.847  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.153  0.263  0.500  1.0
  Nd  Nd4  1  0.737  0.153  0.500  1.0
  Cu  Cu5  1  0.434  0.160  0.000  1.0
  Cu  Cu6  1  0.566  0.840  0.000  1.0
  Cu  Cu7  1  0.160  0.566  0.000  1.0
  Cu  Cu8  1  0.840  0.434  0.000  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.701  0.612  0.000  1.0
  O  O11  1  0.241  0.042  0.000  1.0
  O  O12  1  0.434  0.180  0.500  1.0
  O  O13  1  0.299  0.388  0.000  1.0
  O  O14  1  0.820  0.434  0.500  1.0
  O  O15  1  0.759  0.958  0.000  1.0
  O  O16  1  0.958  0.241  0.000  1.0
  O  O17  1  0.612  0.299  0.000  1.0
  O  O18  1  0.388  0.701  0.000  1.0
  O  O19  1  0.180  0.566  0.500  1.0
  O  O20  1  0.042  0.759  0.000  1.0
  O  O21  1  0.000  0.000  0.500  1.0
  O  O22  1  0.566  0.820  0.500  1.0
[/CIF]
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