The structure described by Ba6Nd2Y(CuO2)12 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(5), two equivalent O(8), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(12), two equivalent O(6), two equivalent O(9), and four equivalent O(3) atoms. Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(11), two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(10) and four equivalent O(7) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(10), and two equivalent O(7) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(11), and two equivalent O(8) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(3), two equivalent O(12), and two equivalent O(9) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(1), one O(6), and two equivalent O(4) atoms. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to one O(2) and three equivalent O(5) atoms. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(6) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded to four equivalent Ba(3), one Cu(3), and one Cu(6) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(6), and two equivalent Cu(4) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and three equivalent Cu(5) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ba(3), one Cu(4), and two equivalent Cu(6) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Nd(1), and two equivalent Cu(3) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Nd(1), and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_Ba6Nd2Y(CuO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   3.911
_cell_length_c   41.450
_cell_angle_alpha   87.296
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.256
_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  0.455  0.091  1.0
  Ba  Ba1  1  0.500  0.788  0.425  1.0
  Ba  Ba2  1  0.500  0.121  0.758  1.0
  Ba  Ba3  1  0.500  0.879  0.242  1.0
  Ba  Ba4  1  0.500  0.212  0.575  1.0
  Ba  Ba5  1  0.500  0.545  0.909  1.0
  Nd  Nd6  1  0.500  0.833  0.333  1.0
  Nd  Nd7  1  0.500  0.167  0.667  1.0
  Y  Y8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.000  0.979  0.042  1.0
  Cu  Cu10  1  0.000  0.312  0.376  1.0
  Cu  Cu11  1  0.000  0.645  0.709  1.0
  Cu  Cu12  1  0.000  0.355  0.291  1.0
  Cu  Cu13  1  0.000  0.688  0.624  1.0
  Cu  Cu14  1  0.000  0.021  0.958  1.0
  Cu  Cu15  1  0.000  0.929  0.142  1.0
  Cu  Cu16  1  0.000  0.262  0.475  1.0
  Cu  Cu17  1  0.000  0.596  0.808  1.0
  Cu  Cu18  1  0.000  0.404  0.192  1.0
  Cu  Cu19  1  0.000  0.738  0.525  1.0
  Cu  Cu20  1  0.000  0.071  0.858  1.0
  O  O21  1  0.000  0.952  0.097  1.0
  O  O22  1  0.000  0.285  0.431  1.0
  O  O23  1  0.000  0.618  0.764  1.0
  O  O24  1  0.000  0.382  0.236  1.0
  O  O25  1  0.000  0.715  0.569  1.0
  O  O26  1  0.000  0.048  0.903  1.0
  O  O27  1  0.000  0.427  0.146  1.0
  O  O28  1  0.000  0.760  0.479  1.0
  O  O29  1  0.000  0.094  0.812  1.0
  O  O30  1  0.000  0.906  0.188  1.0
  O  O31  1  0.000  0.240  0.521  1.0
  O  O32  1  0.000  0.573  0.854  1.0
  O  O33  1  0.500  0.982  0.035  1.0
  O  O34  1  0.500  0.315  0.370  1.0
  O  O35  1  0.500  0.648  0.704  1.0
  O  O36  1  0.500  0.352  0.296  1.0
  O  O37  1  0.500  0.685  0.630  1.0
  O  O38  1  0.500  0.018  0.965  1.0
  O  O39  1  0.000  0.483  0.035  1.0
  O  O40  1  0.000  0.815  0.370  1.0
  O  O41  1  0.000  0.148  0.703  1.0
  O  O42  1  0.000  0.852  0.297  1.0
  O  O43  1  0.000  0.185  0.630  1.0
  O  O44  1  0.000  0.517  0.965  1.0
[/CIF]
.
The structure described by Ba6Nd2Y(CuO2)12 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(5), two equivalent O(8), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(12), two equivalent O(6), two equivalent O(9), and four equivalent O(3) atoms. Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(11), two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(10) and four equivalent O(7) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(10), and two equivalent O(7) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(11), and two equivalent O(8) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(3), two equivalent O(12), and two equivalent O(9) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to one O(1), one O(6), and two equivalent O(4) atoms. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to one O(2) and three equivalent O(5) atoms. In the sixth Cu site, Cu(6) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(6) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(5) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the third O site, O(3) is bonded to four equivalent Ba(3), one Cu(3), and one Cu(6) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 10°. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(6), and two equivalent Cu(4) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and three equivalent Cu(5) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Ba(3), one Cu(4), and two equivalent Cu(6) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Nd(1), and two equivalent Cu(3) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Nd(1), and two equivalent Cu(3) atoms. is represented by the CIF file [CIF]
data_Ba6Nd2Y(CuO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   3.911
_cell_length_c   41.450
_cell_angle_alpha   87.296
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.256
_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  0.455  0.091  1.0
  Ba  Ba1  1  0.500  0.788  0.425  1.0
  Ba  Ba2  1  0.500  0.121  0.758  1.0
  Ba  Ba3  1  0.500  0.879  0.242  1.0
  Ba  Ba4  1  0.500  0.212  0.575  1.0
  Ba  Ba5  1  0.500  0.545  0.909  1.0
  Nd  Nd6  1  0.500  0.833  0.333  1.0
  Nd  Nd7  1  0.500  0.167  0.667  1.0
  Y  Y8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.000  0.979  0.042  1.0
  Cu  Cu10  1  0.000  0.312  0.376  1.0
  Cu  Cu11  1  0.000  0.645  0.709  1.0
  Cu  Cu12  1  0.000  0.355  0.291  1.0
  Cu  Cu13  1  0.000  0.688  0.624  1.0
  Cu  Cu14  1  0.000  0.021  0.958  1.0
  Cu  Cu15  1  0.000  0.929  0.142  1.0
  Cu  Cu16  1  0.000  0.262  0.475  1.0
  Cu  Cu17  1  0.000  0.596  0.808  1.0
  Cu  Cu18  1  0.000  0.404  0.192  1.0
  Cu  Cu19  1  0.000  0.738  0.525  1.0
  Cu  Cu20  1  0.000  0.071  0.858  1.0
  O  O21  1  0.000  0.952  0.097  1.0
  O  O22  1  0.000  0.285  0.431  1.0
  O  O23  1  0.000  0.618  0.764  1.0
  O  O24  1  0.000  0.382  0.236  1.0
  O  O25  1  0.000  0.715  0.569  1.0
  O  O26  1  0.000  0.048  0.903  1.0
  O  O27  1  0.000  0.427  0.146  1.0
  O  O28  1  0.000  0.760  0.479  1.0
  O  O29  1  0.000  0.094  0.812  1.0
  O  O30  1  0.000  0.906  0.188  1.0
  O  O31  1  0.000  0.240  0.521  1.0
  O  O32  1  0.000  0.573  0.854  1.0
  O  O33  1  0.500  0.982  0.035  1.0
  O  O34  1  0.500  0.315  0.370  1.0
  O  O35  1  0.500  0.648  0.704  1.0
  O  O36  1  0.500  0.352  0.296  1.0
  O  O37  1  0.500  0.685  0.630  1.0
  O  O38  1  0.500  0.018  0.965  1.0
  O  O39  1  0.000  0.483  0.035  1.0
  O  O40  1  0.000  0.815  0.370  1.0
  O  O41  1  0.000  0.148  0.703  1.0
  O  O42  1  0.000  0.852  0.297  1.0
  O  O43  1  0.000  0.185  0.630  1.0
  O  O44  1  0.000  0.517  0.965  1.0
[/CIF]
.