The structure described by Ba4Nd5Cu9O22 crystallizes in the monoclinic P2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(4), one O(6), two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(5), one O(6), two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the third Nd site, Nd(3) is bonded to one O(4), one O(5), two equivalent O(1), two equivalent O(10), two equivalent O(12), two equivalent O(7), and two equivalent O(8) atoms to form distorted NdO12 cuboctahedra that share corners with two equivalent Nd(3)O12 cuboctahedra, faces with three equivalent Nd(3)O12 cuboctahedra, faces with two equivalent Cu(1)O5 square pyramids, faces with two equivalent Cu(2)O5 square pyramids, and faces with four equivalent Cu(4)O5 square pyramids. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(7), and two equivalent O(4) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, and faces with two equivalent Nd(3)O12 cuboctahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(8), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(2)O5 square pyramids, and faces with two equivalent Nd(3)O12 cuboctahedra. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(9), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(7), one O(8), and two equivalent O(10) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(2)O5 square pyramid, corners with three equivalent Cu(4)O5 square pyramids, and faces with four equivalent Nd(3)O12 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to two equivalent O(11) and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(2), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Nd(3), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Nd(1), one Nd(2), one Nd(3), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), one Nd(2), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Nd(3), one Cu(1), and one Cu(4) atom to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(10)Ba2Nd2Cu2 octahedra, corners with two equivalent O(11)Ba4Cu2 octahedra, corners with two equivalent O(9)Ba4Cu2 octahedra, corners with two equivalent O(12)Nd4Cu2 octahedra, corners with three equivalent O(8)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(8)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(9)Ba4Cu2 octahedra, edges with two equivalent O(7)Ba2Nd2Cu2 octahedra,  a faceface with one O(12)Nd4Cu2 octahedra, and faces with two equivalent O(10)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-64°. In the eighth O site, O(8) is bonded to two equivalent Ba(2), two equivalent Nd(3), one Cu(2), and one Cu(4) atom to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(10)Ba2Nd2Cu2 octahedra, corners with two equivalent O(11)Ba4Cu2 octahedra, corners with two equivalent O(9)Ba4Cu2 octahedra, corners with two equivalent O(12)Nd4Cu2 octahedra, corners with three equivalent O(7)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(7)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(9)Ba4Cu2 octahedra, edges with two equivalent O(8)Ba2Nd2Cu2 octahedra,  a faceface with one O(12)Nd4Cu2 octahedra, and faces with two equivalent O(10)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-64°. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(3), and one Cu(5) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(9)Ba4Cu2 octahedra, corners with two equivalent O(7)Ba2Nd2Cu2 octahedra, corners with two equivalent O(8)Ba2Nd2Cu2 octahedra, corners with four equivalent O(10)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(7)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(8)Ba2Nd2Cu2 octahedra, edges with two equivalent O(9)Ba4Cu2 octahedra, and faces with two equivalent O(11)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the tenth O site, O(10) is bonded to one Ba(1), one Ba(2), two equivalent Nd(3), and two equivalent Cu(4) atoms to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(10)Ba2Nd2Cu2 octahedra, corners with two equivalent O(7)Ba2Nd2Cu2 octahedra, corners with two equivalent O(8)Ba2Nd2Cu2 octahedra, corners with four equivalent O(9)Ba4Cu2 octahedra,  an edgeedge with one O(10)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(11)Ba4Cu2 octahedra, faces with two equivalent O(7)Ba2Nd2Cu2 octahedra, faces with two equivalent O(8)Ba2Nd2Cu2 octahedra, and faces with two equivalent O(12)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-65°. In the eleventh O site, O(11) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(5) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(11)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba2Nd2Cu2 octahedra, corners with four equivalent O(8)Ba2Nd2Cu2 octahedra, edges with two equivalent O(10)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(9)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the twelfth O site, O(12) is bonded to four equivalent Nd(3) and two equivalent Cu(4) atoms to form distorted ONd4Cu2 octahedra that share corners with four equivalent O(7)Ba2Nd2Cu2 octahedra, corners with four equivalent O(8)Ba2Nd2Cu2 octahedra, edges with two equivalent O(12)Nd4Cu2 octahedra, faces with two equivalent O(7)Ba2Nd2Cu2 octahedra, faces with two equivalent O(8)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(10)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_Ba4Nd5Cu9O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.908
_cell_length_b   11.712
_cell_length_c   12.315
_cell_angle_alpha   71.499
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.625
_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
  Ba  Ba0  1  0.500  0.274  0.184  1.0
  Ba  Ba1  1  0.500  0.604  0.182  1.0
  Ba  Ba2  1  0.500  0.396  0.818  1.0
  Ba  Ba3  1  0.500  0.726  0.816  1.0
  Nd  Nd4  1  0.500  0.836  0.494  1.0
  Nd  Nd5  1  0.500  0.500  0.500  1.0
  Nd  Nd6  1  0.500  0.164  0.506  1.0
  Nd  Nd7  1  0.500  0.949  0.153  1.0
  Nd  Nd8  1  0.500  0.051  0.847  1.0
  Cu  Cu9  1  0.000  0.051  0.346  1.0
  Cu  Cu10  1  0.000  0.720  0.345  1.0
  Cu  Cu11  1  0.000  0.382  0.352  1.0
  Cu  Cu12  1  0.000  0.949  0.654  1.0
  Cu  Cu13  1  0.000  0.618  0.648  1.0
  Cu  Cu14  1  0.000  0.280  0.655  1.0
  Cu  Cu15  1  0.000  0.835  1.000  1.0
  Cu  Cu16  1  0.000  0.500  0.000  1.0
  Cu  Cu17  1  0.000  0.165  0.000  1.0
  O  O18  1  0.000  0.880  0.362  1.0
  O  O19  1  0.000  0.544  0.369  1.0
  O  O20  1  0.000  0.208  0.374  1.0
  O  O21  1  0.500  0.044  0.367  1.0
  O  O22  1  0.500  0.713  0.367  1.0
  O  O23  1  0.500  0.375  0.374  1.0
  O  O24  1  0.000  0.792  0.626  1.0
  O  O25  1  0.000  0.456  0.631  1.0
  O  O26  1  0.000  0.120  0.638  1.0
  O  O27  1  0.500  0.956  0.633  1.0
  O  O28  1  0.500  0.625  0.626  1.0
  O  O29  1  0.500  0.287  0.633  1.0
  O  O30  1  0.000  0.099  0.164  1.0
  O  O31  1  0.000  0.792  0.164  1.0
  O  O32  1  0.000  0.446  0.160  1.0
  O  O33  1  0.000  0.901  0.836  1.0
  O  O34  1  0.000  0.554  0.840  1.0
  O  O35  1  0.000  0.208  0.836  1.0
  O  O36  1  0.500  0.157  0.000  1.0
  O  O37  1  0.500  0.500  0.000  1.0
  O  O38  1  0.500  0.843  1.000  1.0
  O  O39  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Ba4Nd5Cu9O22 crystallizes in the monoclinic P2/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(4), one O(6), two equivalent O(3), two equivalent O(7), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(5), one O(6), two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a body-centered cubic geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. In the third Nd site, Nd(3) is bonded to one O(4), one O(5), two equivalent O(1), two equivalent O(10), two equivalent O(12), two equivalent O(7), and two equivalent O(8) atoms to form distorted NdO12 cuboctahedra that share corners with two equivalent Nd(3)O12 cuboctahedra, faces with three equivalent Nd(3)O12 cuboctahedra, faces with two equivalent Cu(1)O5 square pyramids, faces with two equivalent Cu(2)O5 square pyramids, and faces with four equivalent Cu(4)O5 square pyramids. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(7), and two equivalent O(4) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, and faces with two equivalent Nd(3)O12 cuboctahedra. In the second Cu site, Cu(2) is bonded to one O(1), one O(2), one O(8), and two equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(2)O5 square pyramids, and faces with two equivalent Nd(3)O12 cuboctahedra. In the third Cu site, Cu(3) is bonded to one O(2), one O(3), one O(9), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(7), one O(8), and two equivalent O(10) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(2)O5 square pyramid, corners with three equivalent Cu(4)O5 square pyramids, and faces with four equivalent Nd(3)O12 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to two equivalent O(11) and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(2), one Cu(2), and one Cu(3) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Nd(3), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(2), one Nd(1), one Nd(2), one Nd(3), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Nd(1), one Nd(2), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Nd(3), one Cu(1), and one Cu(4) atom to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(10)Ba2Nd2Cu2 octahedra, corners with two equivalent O(11)Ba4Cu2 octahedra, corners with two equivalent O(9)Ba4Cu2 octahedra, corners with two equivalent O(12)Nd4Cu2 octahedra, corners with three equivalent O(8)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(8)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(9)Ba4Cu2 octahedra, edges with two equivalent O(7)Ba2Nd2Cu2 octahedra,  a faceface with one O(12)Nd4Cu2 octahedra, and faces with two equivalent O(10)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-64°. In the eighth O site, O(8) is bonded to two equivalent Ba(2), two equivalent Nd(3), one Cu(2), and one Cu(4) atom to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(10)Ba2Nd2Cu2 octahedra, corners with two equivalent O(11)Ba4Cu2 octahedra, corners with two equivalent O(9)Ba4Cu2 octahedra, corners with two equivalent O(12)Nd4Cu2 octahedra, corners with three equivalent O(7)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(7)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(9)Ba4Cu2 octahedra, edges with two equivalent O(8)Ba2Nd2Cu2 octahedra,  a faceface with one O(12)Nd4Cu2 octahedra, and faces with two equivalent O(10)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-64°. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(3), and one Cu(5) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(9)Ba4Cu2 octahedra, corners with two equivalent O(7)Ba2Nd2Cu2 octahedra, corners with two equivalent O(8)Ba2Nd2Cu2 octahedra, corners with four equivalent O(10)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(7)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(8)Ba2Nd2Cu2 octahedra, edges with two equivalent O(9)Ba4Cu2 octahedra, and faces with two equivalent O(11)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the tenth O site, O(10) is bonded to one Ba(1), one Ba(2), two equivalent Nd(3), and two equivalent Cu(4) atoms to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(10)Ba2Nd2Cu2 octahedra, corners with two equivalent O(7)Ba2Nd2Cu2 octahedra, corners with two equivalent O(8)Ba2Nd2Cu2 octahedra, corners with four equivalent O(9)Ba4Cu2 octahedra,  an edgeedge with one O(10)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(11)Ba4Cu2 octahedra, faces with two equivalent O(7)Ba2Nd2Cu2 octahedra, faces with two equivalent O(8)Ba2Nd2Cu2 octahedra, and faces with two equivalent O(12)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-65°. In the eleventh O site, O(11) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(5) atoms to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(11)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba2Nd2Cu2 octahedra, corners with four equivalent O(8)Ba2Nd2Cu2 octahedra, edges with two equivalent O(10)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(9)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the twelfth O site, O(12) is bonded to four equivalent Nd(3) and two equivalent Cu(4) atoms to form distorted ONd4Cu2 octahedra that share corners with four equivalent O(7)Ba2Nd2Cu2 octahedra, corners with four equivalent O(8)Ba2Nd2Cu2 octahedra, edges with two equivalent O(12)Nd4Cu2 octahedra, faces with two equivalent O(7)Ba2Nd2Cu2 octahedra, faces with two equivalent O(8)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(10)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 55°. is represented by the CIF card [CIF]
data_Ba4Nd5Cu9O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.908
_cell_length_b   11.712
_cell_length_c   12.315
_cell_angle_alpha   71.499
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.625
_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
  Ba  Ba0  1  0.500  0.274  0.184  1.0
  Ba  Ba1  1  0.500  0.604  0.182  1.0
  Ba  Ba2  1  0.500  0.396  0.818  1.0
  Ba  Ba3  1  0.500  0.726  0.816  1.0
  Nd  Nd4  1  0.500  0.836  0.494  1.0
  Nd  Nd5  1  0.500  0.500  0.500  1.0
  Nd  Nd6  1  0.500  0.164  0.506  1.0
  Nd  Nd7  1  0.500  0.949  0.153  1.0
  Nd  Nd8  1  0.500  0.051  0.847  1.0
  Cu  Cu9  1  0.000  0.051  0.346  1.0
  Cu  Cu10  1  0.000  0.720  0.345  1.0
  Cu  Cu11  1  0.000  0.382  0.352  1.0
  Cu  Cu12  1  0.000  0.949  0.654  1.0
  Cu  Cu13  1  0.000  0.618  0.648  1.0
  Cu  Cu14  1  0.000  0.280  0.655  1.0
  Cu  Cu15  1  0.000  0.835  1.000  1.0
  Cu  Cu16  1  0.000  0.500  0.000  1.0
  Cu  Cu17  1  0.000  0.165  0.000  1.0
  O  O18  1  0.000  0.880  0.362  1.0
  O  O19  1  0.000  0.544  0.369  1.0
  O  O20  1  0.000  0.208  0.374  1.0
  O  O21  1  0.500  0.044  0.367  1.0
  O  O22  1  0.500  0.713  0.367  1.0
  O  O23  1  0.500  0.375  0.374  1.0
  O  O24  1  0.000  0.792  0.626  1.0
  O  O25  1  0.000  0.456  0.631  1.0
  O  O26  1  0.000  0.120  0.638  1.0
  O  O27  1  0.500  0.956  0.633  1.0
  O  O28  1  0.500  0.625  0.626  1.0
  O  O29  1  0.500  0.287  0.633  1.0
  O  O30  1  0.000  0.099  0.164  1.0
  O  O31  1  0.000  0.792  0.164  1.0
  O  O32  1  0.000  0.446  0.160  1.0
  O  O33  1  0.000  0.901  0.836  1.0
  O  O34  1  0.000  0.554  0.840  1.0
  O  O35  1  0.000  0.208  0.836  1.0
  O  O36  1  0.500  0.157  0.000  1.0
  O  O37  1  0.500  0.500  0.000  1.0
  O  O38  1  0.500  0.843  1.000  1.0
  O  O39  1  0.000  0.000  0.000  1.0
[/CIF]
.