The crystal structure described by Sr5Nd5Cu(NiO5)4 crystallizes in the triclinic P1 space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(18), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(14), one O(15), one O(19), two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms. In the third Sr site, Sr(3) is bonded to one O(11), one O(15), one O(20), one O(6), two equivalent O(10), and two equivalent O(5) atoms to form distorted SrO8 hexagonal bipyramids that share  a cornercorner with one O(6)Sr3NdO square pyramid, edges with two equivalent Sr(3)O8 hexagonal bipyramids, and faces with two equivalent Ni(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(20), two equivalent O(1), two equivalent O(16), and two equivalent O(6) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(7), two equivalent O(16), two equivalent O(17), and two equivalent O(2) atoms. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(16), one O(6), two equivalent O(1), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(17), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(8), two equivalent O(17), two equivalent O(18), and two equivalent O(3) atoms. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(15), one O(20), two equivalent O(19), and two equivalent O(5) atoms. In the fifth Nd site, Nd(5) is bonded in a 9-coordinate geometry to one O(14), one O(15), one O(9), two equivalent O(18), two equivalent O(19), and two equivalent O(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(16), one O(2), one O(7), and two equivalent O(12) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Ni site, Ni(2) is bonded to one O(17), one O(2), one O(3), one O(8), and two equivalent O(13) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Ni site, Ni(3) is bonded to one O(18), one O(3), one O(4), one O(9), and two equivalent O(14) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(19), one O(4), one O(5), and two equivalent O(15) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, and faces with two equivalent Sr(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-12°. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(20), one O(5), and two equivalent O(11) atoms. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(4), two equivalent Nd(1), one Ni(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(5), two equivalent Nd(2), one Ni(1), and one Ni(2) atom to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with four equivalent O(17)Sr2Nd3Ni octahedra, corners with four equivalent O(7)SrNd4Ni octahedra, edges with two equivalent O(2)Sr2Nd2Ni2 octahedra,  a faceface with one O(17)Sr2Nd3Ni octahedra,  a faceface with one O(8)Sr2Nd3Ni octahedra,  a faceface with one O(16)Sr4NdNi octahedra,  a faceface with one O(7)SrNd4Ni octahedra, faces with two equivalent O(12)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(13)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(3), one Ni(2), and one Ni(3) atom to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(2)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(4)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with four equivalent O(8)Sr2Nd3Ni octahedra, corners with four equivalent O(18)SrNd4Ni octahedra, edges with two equivalent O(3)Sr2Nd2Ni2 octahedra,  a faceface with one O(17)Sr2Nd3Ni octahedra,  a faceface with one O(8)Sr2Nd3Ni octahedra,  a faceface with one O(9)Sr4NdNi octahedra,  a faceface with one O(18)SrNd4Ni octahedra, faces with two equivalent O(13)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(14)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Nd(5), one Ni(3), and one Ni(4) atom to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(5)Sr2Nd2CuNi octahedra,  a cornercorner with one O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with two equivalent O(18)SrNd4Ni octahedra, corners with four equivalent O(9)Sr4NdNi octahedra, edges with two equivalent O(4)Sr2Nd2Ni2 octahedra,  a faceface with one O(10)Sr4NdNi octahedra,  a faceface with one O(9)Sr4NdNi octahedra,  a faceface with one O(18)SrNd4Ni octahedra, faces with two equivalent O(14)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(15)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 9-54°. In the fifth O site, O(5) is bonded to two equivalent Sr(3), two equivalent Nd(4), one Ni(4), and one Cu(1) atom to form distorted OSr2Nd2CuNi octahedra that share  a cornercorner with one O(4)Sr2Nd2Ni2 octahedra, corners with four equivalent O(10)Sr4NdNi octahedra, corners with two equivalent O(6)Sr3NdO square pyramids, edges with two equivalent O(5)Sr2Nd2CuNi octahedra,  a faceface with one O(10)Sr4NdNi octahedra, and faces with two equivalent O(15)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the sixth O site, O(6) is bonded to one Sr(3), two equivalent Sr(4), one Nd(1), and one O(20) atom to form OSr3NdO square pyramids that share  a cornercorner with one Sr(3)O8 hexagonal bipyramid,  a cornercorner with one O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(5)Sr2Nd2CuNi octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with two equivalent O(7)SrNd4Ni octahedra, corners with three equivalent O(12)Sr2Nd2Ni2 octahedra, corners with two equivalent O(6)Sr3NdO square pyramids, and  a faceface with one O(16)Sr4NdNi octahedra. The corner-sharing octahedral tilt angles range from 11-78°. In the seventh O site, O(7) is bonded to one Sr(5), two equivalent Nd(1), two equivalent Nd(2), and one Ni(1) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(12)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(16)Sr4NdNi octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with three equivalent O(13)Sr2Nd2Ni2 octahedra, corners with four equivalent O(2)Sr2Nd2Ni2 octahedra, corners with two equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(16)Sr4NdNi octahedra, edges with two equivalent O(7)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(12)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the eighth O site, O(8) is bonded to two equivalent Sr(1), one Nd(3), two equivalent Nd(2), and one Ni(2) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(13)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(12)Sr2Nd2Ni2 octahedra, corners with two equivalent O(2)Sr2Nd2Ni2 octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with two equivalent O(7)SrNd4Ni octahedra, corners with three equivalent O(14)Sr2Nd2Ni2 octahedra, corners with four equivalent O(3)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(9)Sr4NdNi octahedra,  an edgeedge with one O(7)SrNd4Ni octahedra, edges with two equivalent O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(18)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(13)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Nd(5), and one Ni(3) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(14)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(18)SrNd4Ni octahedra, corners with two equivalent O(13)Sr2Nd2Ni2 octahedra, corners with two equivalent O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with three equivalent O(15)Sr2Nd2Ni2 octahedra, corners with four equivalent O(4)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(8)Sr2Nd3Ni octahedra,  an edgeedge with one O(10)Sr4NdNi octahedra, edges with two equivalent O(9)Sr4NdNi octahedra, edges with two equivalent O(18)SrNd4Ni octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra,  a faceface with one O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(14)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Nd(4), and one Ni(4) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(14)Sr2Nd2Ni2 octahedra, corners with two equivalent O(4)Sr2Nd2Ni2 octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with four equivalent O(5)Sr2Nd2CuNi octahedra, corners with two equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(9)Sr4NdNi octahedra, edges with two equivalent O(10)Sr4NdNi octahedra,  a faceface with one O(5)Sr2Nd2CuNi octahedra,  a faceface with one O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(15)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Sr(3), one Sr(4), one Nd(1), one Nd(4), and two equivalent Cu(1) atoms. In the twelfth O site, O(12) is bonded to one Sr(4), one Sr(5), one Nd(1), one Nd(2), and two equivalent Ni(1) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(16)Sr4NdNi octahedra,  a cornercorner with one O(7)SrNd4Ni octahedra, corners with two equivalent O(12)Sr2Nd2Ni2 octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with three equivalent O(17)Sr2Nd3Ni octahedra, corners with three equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(13)Sr2Nd2Ni2 octahedra, faces with two equivalent O(2)Sr2Nd2Ni2 octahedra, faces with two equivalent O(16)Sr4NdNi octahedra, and faces with two equivalent O(7)SrNd4Ni octahedra. The corner-sharing octahedral tilt angles range from 8-52°. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(5), one Nd(2), one Nd(3), and two equivalent Ni(2) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(17)Sr2Nd3Ni octahedra,  a cornercorner with one O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(13)Sr2Nd2Ni2 octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with three equivalent O(18)SrNd4Ni octahedra, corners with three equivalent O(7)SrNd4Ni octahedra,  an edgeedge with one O(12)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(14)Sr2Nd2Ni2 octahedra, faces with two equivalent O(2)Sr2Nd2Ni2 octahedra, faces with two equivalent O(3)Sr2Nd2Ni2 octahedra, faces with two equivalent O(17)Sr2Nd3Ni octahedra, and faces with two equivalent O(8)Sr2Nd3Ni octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourteenth O site, O(14) is bonded to one Sr(1), one Sr(2), one Nd(3), one Nd(5), and two equivalent Ni(3) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(9)Sr4NdNi octahedra,  a cornercorner with one O(18)SrNd4Ni octahedra, corners with two equivalent O(14)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with three equivalent O(8)Sr2Nd3Ni octahedra,  an edgeedge with one O(13)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(15)Sr2Nd2Ni2 octahedra, faces with two equivalent O(3)Sr2Nd2Ni2 octahedra, faces with two equivalent O(4)Sr2Nd2Ni2 octahedra, faces with two equivalent O(9)Sr4NdNi octahedra, and faces with two equivalent O(18)SrNd4Ni octahedra. The corner-sharing octahedral tilt angles range from 8-53°. In the fifteenth O site, O(15) is bonded to one Sr(2), one Sr(3), one Nd(4), one Nd(5), and two equivalent Ni(4) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(10)Sr4NdNi octahedra, corners with two equivalent O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(18)SrNd4Ni octahedra, corners with three equivalent O(9)Sr4NdNi octahedra,  a cornercorner with one O(6)Sr3NdO square pyramid,  an edgeedge with one O(14)Sr2Nd2Ni2 octahedra, faces with two equivalent O(5)Sr2Nd2CuNi octahedra, faces with two equivalent O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(10)Sr4NdNi octahedra. The corner-sharing octahedral tilt angles range from 11-55°. In the sixteenth O site, O(16) is bonded to two equivalent Sr(4), two equivalent Sr(5), one Nd(1), and one Ni(1) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(12)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(7)SrNd4Ni octahedra, corners with two equivalent O(13)Sr2Nd2Ni2 octahedra, corners with two equivalent O(2)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(16)Sr4NdNi octahedra, edges with two equivalent O(7)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra, faces with two equivalent O(12)Sr2Nd2Ni2 octahedra, and  a faceface with one O(6)Sr3NdO square pyramid. The corner-sharing octahedral tilt angles range from 1-53°. In the seventeenth O site, O(17) is bonded to two equivalent Sr(5), one Nd(2), two equivalent Nd(3), and one Ni(2) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(13)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(14)Sr2Nd2Ni2 octahedra, corners with two equivalent O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with two equivalent O(18)SrNd4Ni octahedra, corners with three equivalent O(12)Sr2Nd2Ni2 octahedra, corners with four equivalent O(2)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(16)Sr4NdNi octahedra,  an edgeedge with one O(18)SrNd4Ni octahedra, edges with two equivalent O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(7)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(13)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the eighteenth O site, O(18) is bonded to one Sr(1), two equivalent Nd(3), two equivalent Nd(5), and one Ni(3) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(14)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(9)Sr4NdNi octahedra, corners with two equivalent O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(4)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with three equivalent O(13)Sr2Nd2Ni2 octahedra, corners with four equivalent O(3)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(9)Sr4NdNi octahedra, edges with two equivalent O(18)SrNd4Ni octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra,  a faceface with one O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(14)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Nd(4), two equivalent Nd(5), and one Ni(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(4), one Nd(4), one Cu(1), and one O(6) atom. is represented by the CIF file [CIF]
data_Sr5Nd5Cu(NiO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.841
_cell_length_b   6.846
_cell_length_c   18.846
_cell_angle_alpha   84.211
_cell_angle_beta   84.553
_cell_angle_gamma   74.044
_symmetry_Int_Tables_number   1
_cell_volume   472.888
_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
  Sr  Sr0  1  0.349  0.757  0.528  1.0
  Sr  Sr1  1  0.372  0.545  0.722  1.0
  Sr  Sr2  1  0.396  0.325  0.911  1.0
  Sr  Sr3  1  0.580  0.652  0.084  1.0
  Sr  Sr4  1  0.623  0.453  0.276  1.0
  Nd  Nd5  1  0.331  0.152  0.141  1.0
  Nd  Nd6  1  0.346  0.951  0.334  1.0
  Nd  Nd7  1  0.628  0.260  0.469  1.0
  Nd  Nd8  1  0.675  0.831  0.859  1.0
  Nd  Nd9  1  0.640  0.053  0.663  1.0
  Cu  Cu10  1  0.989  0.996  0.002  1.0
  Ni  Ni11  1  0.980  0.801  0.204  1.0
  Ni  Ni12  1  0.985  0.608  0.401  1.0
  Ni  Ni13  1  0.993  0.405  0.597  1.0
  Ni  Ni14  1  0.020  0.184  0.796  1.0
  O  O15  1  0.952  0.955  0.102  1.0
  O  O16  1  0.974  0.721  0.306  1.0
  O  O17  1  0.993  0.500  0.498  1.0
  O  O18  1  0.022  0.268  0.692  1.0
  O  O19  1  0.033  0.048  0.901  1.0
  O  O20  1  0.171  0.445  0.029  1.0
  O  O21  1  0.819  0.111  0.232  1.0
  O  O22  1  0.813  0.930  0.426  1.0
  O  O23  1  0.822  0.716  0.634  1.0
  O  O24  1  0.849  0.493  0.829  1.0
  O  O25  1  0.484  0.002  0.005  1.0
  O  O26  1  0.470  0.820  0.205  1.0
  O  O27  1  0.486  0.607  0.401  1.0
  O  O28  1  0.502  0.388  0.594  1.0
  O  O29  1  0.532  0.163  0.791  1.0
  O  O30  1  0.152  0.488  0.176  1.0
  O  O31  1  0.159  0.284  0.375  1.0
  O  O32  1  0.151  0.104  0.563  1.0
  O  O33  1  0.188  0.870  0.776  1.0
  O  O34  1  0.021  0.617  0.975  1.0
[/CIF]
.
The crystal structure described by Sr5Nd5Cu(NiO5)4 crystallizes in the triclinic P1 space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(18), two equivalent O(3), two equivalent O(8), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(14), one O(15), one O(19), two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms. In the third Sr site, Sr(3) is bonded to one O(11), one O(15), one O(20), one O(6), two equivalent O(10), and two equivalent O(5) atoms to form distorted SrO8 hexagonal bipyramids that share  a cornercorner with one O(6)Sr3NdO square pyramid, edges with two equivalent Sr(3)O8 hexagonal bipyramids, and faces with two equivalent Ni(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(20), two equivalent O(1), two equivalent O(16), and two equivalent O(6) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(7), two equivalent O(16), two equivalent O(17), and two equivalent O(2) atoms. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(16), one O(6), two equivalent O(1), and two equivalent O(7) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(17), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(8), two equivalent O(17), two equivalent O(18), and two equivalent O(3) atoms. In the fourth Nd site, Nd(4) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(15), one O(20), two equivalent O(19), and two equivalent O(5) atoms. In the fifth Nd site, Nd(5) is bonded in a 9-coordinate geometry to one O(14), one O(15), one O(9), two equivalent O(18), two equivalent O(19), and two equivalent O(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(16), one O(2), one O(7), and two equivalent O(12) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Ni site, Ni(2) is bonded to one O(17), one O(2), one O(3), one O(8), and two equivalent O(13) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Ni site, Ni(3) is bonded to one O(18), one O(3), one O(4), one O(9), and two equivalent O(14) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fourth Ni site, Ni(4) is bonded to one O(10), one O(19), one O(4), one O(5), and two equivalent O(15) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, and faces with two equivalent Sr(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 11-12°. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(20), one O(5), and two equivalent O(11) atoms. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(4), two equivalent Nd(1), one Ni(1), and one Cu(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(5), two equivalent Nd(2), one Ni(1), and one Ni(2) atom to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with four equivalent O(17)Sr2Nd3Ni octahedra, corners with four equivalent O(7)SrNd4Ni octahedra, edges with two equivalent O(2)Sr2Nd2Ni2 octahedra,  a faceface with one O(17)Sr2Nd3Ni octahedra,  a faceface with one O(8)Sr2Nd3Ni octahedra,  a faceface with one O(16)Sr4NdNi octahedra,  a faceface with one O(7)SrNd4Ni octahedra, faces with two equivalent O(12)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(13)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(3), one Ni(2), and one Ni(3) atom to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(2)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(4)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with four equivalent O(8)Sr2Nd3Ni octahedra, corners with four equivalent O(18)SrNd4Ni octahedra, edges with two equivalent O(3)Sr2Nd2Ni2 octahedra,  a faceface with one O(17)Sr2Nd3Ni octahedra,  a faceface with one O(8)Sr2Nd3Ni octahedra,  a faceface with one O(9)Sr4NdNi octahedra,  a faceface with one O(18)SrNd4Ni octahedra, faces with two equivalent O(13)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(14)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Nd(5), one Ni(3), and one Ni(4) atom to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(5)Sr2Nd2CuNi octahedra,  a cornercorner with one O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with two equivalent O(18)SrNd4Ni octahedra, corners with four equivalent O(9)Sr4NdNi octahedra, edges with two equivalent O(4)Sr2Nd2Ni2 octahedra,  a faceface with one O(10)Sr4NdNi octahedra,  a faceface with one O(9)Sr4NdNi octahedra,  a faceface with one O(18)SrNd4Ni octahedra, faces with two equivalent O(14)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(15)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 9-54°. In the fifth O site, O(5) is bonded to two equivalent Sr(3), two equivalent Nd(4), one Ni(4), and one Cu(1) atom to form distorted OSr2Nd2CuNi octahedra that share  a cornercorner with one O(4)Sr2Nd2Ni2 octahedra, corners with four equivalent O(10)Sr4NdNi octahedra, corners with two equivalent O(6)Sr3NdO square pyramids, edges with two equivalent O(5)Sr2Nd2CuNi octahedra,  a faceface with one O(10)Sr4NdNi octahedra, and faces with two equivalent O(15)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 9-51°. In the sixth O site, O(6) is bonded to one Sr(3), two equivalent Sr(4), one Nd(1), and one O(20) atom to form OSr3NdO square pyramids that share  a cornercorner with one Sr(3)O8 hexagonal bipyramid,  a cornercorner with one O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(5)Sr2Nd2CuNi octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with two equivalent O(7)SrNd4Ni octahedra, corners with three equivalent O(12)Sr2Nd2Ni2 octahedra, corners with two equivalent O(6)Sr3NdO square pyramids, and  a faceface with one O(16)Sr4NdNi octahedra. The corner-sharing octahedral tilt angles range from 11-78°. In the seventh O site, O(7) is bonded to one Sr(5), two equivalent Nd(1), two equivalent Nd(2), and one Ni(1) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(12)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(16)Sr4NdNi octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with three equivalent O(13)Sr2Nd2Ni2 octahedra, corners with four equivalent O(2)Sr2Nd2Ni2 octahedra, corners with two equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(16)Sr4NdNi octahedra, edges with two equivalent O(7)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(12)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the eighth O site, O(8) is bonded to two equivalent Sr(1), one Nd(3), two equivalent Nd(2), and one Ni(2) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(13)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(12)Sr2Nd2Ni2 octahedra, corners with two equivalent O(2)Sr2Nd2Ni2 octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with two equivalent O(7)SrNd4Ni octahedra, corners with three equivalent O(14)Sr2Nd2Ni2 octahedra, corners with four equivalent O(3)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(9)Sr4NdNi octahedra,  an edgeedge with one O(7)SrNd4Ni octahedra, edges with two equivalent O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(18)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(13)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Nd(5), and one Ni(3) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(14)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(18)SrNd4Ni octahedra, corners with two equivalent O(13)Sr2Nd2Ni2 octahedra, corners with two equivalent O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with three equivalent O(15)Sr2Nd2Ni2 octahedra, corners with four equivalent O(4)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(8)Sr2Nd3Ni octahedra,  an edgeedge with one O(10)Sr4NdNi octahedra, edges with two equivalent O(9)Sr4NdNi octahedra, edges with two equivalent O(18)SrNd4Ni octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra,  a faceface with one O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(14)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Nd(4), and one Ni(4) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(14)Sr2Nd2Ni2 octahedra, corners with two equivalent O(4)Sr2Nd2Ni2 octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with four equivalent O(5)Sr2Nd2CuNi octahedra, corners with two equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(9)Sr4NdNi octahedra, edges with two equivalent O(10)Sr4NdNi octahedra,  a faceface with one O(5)Sr2Nd2CuNi octahedra,  a faceface with one O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(15)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 19-54°. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Sr(3), one Sr(4), one Nd(1), one Nd(4), and two equivalent Cu(1) atoms. In the twelfth O site, O(12) is bonded to one Sr(4), one Sr(5), one Nd(1), one Nd(2), and two equivalent Ni(1) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(16)Sr4NdNi octahedra,  a cornercorner with one O(7)SrNd4Ni octahedra, corners with two equivalent O(12)Sr2Nd2Ni2 octahedra, corners with two equivalent O(8)Sr2Nd3Ni octahedra, corners with three equivalent O(17)Sr2Nd3Ni octahedra, corners with three equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(13)Sr2Nd2Ni2 octahedra, faces with two equivalent O(2)Sr2Nd2Ni2 octahedra, faces with two equivalent O(16)Sr4NdNi octahedra, and faces with two equivalent O(7)SrNd4Ni octahedra. The corner-sharing octahedral tilt angles range from 8-52°. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(5), one Nd(2), one Nd(3), and two equivalent Ni(2) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(17)Sr2Nd3Ni octahedra,  a cornercorner with one O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(13)Sr2Nd2Ni2 octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with two equivalent O(9)Sr4NdNi octahedra, corners with three equivalent O(18)SrNd4Ni octahedra, corners with three equivalent O(7)SrNd4Ni octahedra,  an edgeedge with one O(12)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(14)Sr2Nd2Ni2 octahedra, faces with two equivalent O(2)Sr2Nd2Ni2 octahedra, faces with two equivalent O(3)Sr2Nd2Ni2 octahedra, faces with two equivalent O(17)Sr2Nd3Ni octahedra, and faces with two equivalent O(8)Sr2Nd3Ni octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourteenth O site, O(14) is bonded to one Sr(1), one Sr(2), one Nd(3), one Nd(5), and two equivalent Ni(3) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(9)Sr4NdNi octahedra,  a cornercorner with one O(18)SrNd4Ni octahedra, corners with two equivalent O(14)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(10)Sr4NdNi octahedra, corners with three equivalent O(8)Sr2Nd3Ni octahedra,  an edgeedge with one O(13)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(15)Sr2Nd2Ni2 octahedra, faces with two equivalent O(3)Sr2Nd2Ni2 octahedra, faces with two equivalent O(4)Sr2Nd2Ni2 octahedra, faces with two equivalent O(9)Sr4NdNi octahedra, and faces with two equivalent O(18)SrNd4Ni octahedra. The corner-sharing octahedral tilt angles range from 8-53°. In the fifteenth O site, O(15) is bonded to one Sr(2), one Sr(3), one Nd(4), one Nd(5), and two equivalent Ni(4) atoms to form distorted OSr2Nd2Ni2 octahedra that share  a cornercorner with one O(10)Sr4NdNi octahedra, corners with two equivalent O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(18)SrNd4Ni octahedra, corners with three equivalent O(9)Sr4NdNi octahedra,  a cornercorner with one O(6)Sr3NdO square pyramid,  an edgeedge with one O(14)Sr2Nd2Ni2 octahedra, faces with two equivalent O(5)Sr2Nd2CuNi octahedra, faces with two equivalent O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(10)Sr4NdNi octahedra. The corner-sharing octahedral tilt angles range from 11-55°. In the sixteenth O site, O(16) is bonded to two equivalent Sr(4), two equivalent Sr(5), one Nd(1), and one Ni(1) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(12)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(7)SrNd4Ni octahedra, corners with two equivalent O(13)Sr2Nd2Ni2 octahedra, corners with two equivalent O(2)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with two equivalent O(6)Sr3NdO square pyramids,  an edgeedge with one O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(16)Sr4NdNi octahedra, edges with two equivalent O(7)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra, faces with two equivalent O(12)Sr2Nd2Ni2 octahedra, and  a faceface with one O(6)Sr3NdO square pyramid. The corner-sharing octahedral tilt angles range from 1-53°. In the seventeenth O site, O(17) is bonded to two equivalent Sr(5), one Nd(2), two equivalent Nd(3), and one Ni(2) atom to form distorted OSr2Nd3Ni octahedra that share  a cornercorner with one O(13)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(8)Sr2Nd3Ni octahedra, corners with two equivalent O(14)Sr2Nd2Ni2 octahedra, corners with two equivalent O(3)Sr2Nd2Ni2 octahedra, corners with two equivalent O(16)Sr4NdNi octahedra, corners with two equivalent O(18)SrNd4Ni octahedra, corners with three equivalent O(12)Sr2Nd2Ni2 octahedra, corners with four equivalent O(2)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(16)Sr4NdNi octahedra,  an edgeedge with one O(18)SrNd4Ni octahedra, edges with two equivalent O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(7)SrNd4Ni octahedra,  a faceface with one O(2)Sr2Nd2Ni2 octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(13)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-55°. In the eighteenth O site, O(18) is bonded to one Sr(1), two equivalent Nd(3), two equivalent Nd(5), and one Ni(3) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(14)Sr2Nd2Ni2 octahedra,  a cornercorner with one O(9)Sr4NdNi octahedra, corners with two equivalent O(15)Sr2Nd2Ni2 octahedra, corners with two equivalent O(4)Sr2Nd2Ni2 octahedra, corners with two equivalent O(17)Sr2Nd3Ni octahedra, corners with three equivalent O(13)Sr2Nd2Ni2 octahedra, corners with four equivalent O(3)Sr2Nd2Ni2 octahedra,  an edgeedge with one O(17)Sr2Nd3Ni octahedra, edges with two equivalent O(8)Sr2Nd3Ni octahedra, edges with two equivalent O(9)Sr4NdNi octahedra, edges with two equivalent O(18)SrNd4Ni octahedra,  a faceface with one O(3)Sr2Nd2Ni2 octahedra,  a faceface with one O(4)Sr2Nd2Ni2 octahedra, and faces with two equivalent O(14)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Sr(2), two equivalent Nd(4), two equivalent Nd(5), and one Ni(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(4), one Nd(4), one Cu(1), and one O(6) atom. is represented by the CIF file [CIF]
data_Sr5Nd5Cu(NiO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.841
_cell_length_b   6.846
_cell_length_c   18.846
_cell_angle_alpha   84.211
_cell_angle_beta   84.553
_cell_angle_gamma   74.044
_symmetry_Int_Tables_number   1
_cell_volume   472.888
_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
  Sr  Sr0  1  0.349  0.757  0.528  1.0
  Sr  Sr1  1  0.372  0.545  0.722  1.0
  Sr  Sr2  1  0.396  0.325  0.911  1.0
  Sr  Sr3  1  0.580  0.652  0.084  1.0
  Sr  Sr4  1  0.623  0.453  0.276  1.0
  Nd  Nd5  1  0.331  0.152  0.141  1.0
  Nd  Nd6  1  0.346  0.951  0.334  1.0
  Nd  Nd7  1  0.628  0.260  0.469  1.0
  Nd  Nd8  1  0.675  0.831  0.859  1.0
  Nd  Nd9  1  0.640  0.053  0.663  1.0
  Cu  Cu10  1  0.989  0.996  0.002  1.0
  Ni  Ni11  1  0.980  0.801  0.204  1.0
  Ni  Ni12  1  0.985  0.608  0.401  1.0
  Ni  Ni13  1  0.993  0.405  0.597  1.0
  Ni  Ni14  1  0.020  0.184  0.796  1.0
  O  O15  1  0.952  0.955  0.102  1.0
  O  O16  1  0.974  0.721  0.306  1.0
  O  O17  1  0.993  0.500  0.498  1.0
  O  O18  1  0.022  0.268  0.692  1.0
  O  O19  1  0.033  0.048  0.901  1.0
  O  O20  1  0.171  0.445  0.029  1.0
  O  O21  1  0.819  0.111  0.232  1.0
  O  O22  1  0.813  0.930  0.426  1.0
  O  O23  1  0.822  0.716  0.634  1.0
  O  O24  1  0.849  0.493  0.829  1.0
  O  O25  1  0.484  0.002  0.005  1.0
  O  O26  1  0.470  0.820  0.205  1.0
  O  O27  1  0.486  0.607  0.401  1.0
  O  O28  1  0.502  0.388  0.594  1.0
  O  O29  1  0.532  0.163  0.791  1.0
  O  O30  1  0.152  0.488  0.176  1.0
  O  O31  1  0.159  0.284  0.375  1.0
  O  O32  1  0.151  0.104  0.563  1.0
  O  O33  1  0.188  0.870  0.776  1.0
  O  O34  1  0.021  0.617  0.975  1.0
[/CIF]
.