The material described by Ba2NdLa3(CuO5)2 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Nd(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(2)Ba2La3Cu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(2)Ba2La3Cu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(2)Ba2La3Cu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the second O site, O(2) is bonded to two equivalent Ba(1), one La(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La3Cu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(1)Ba2La2NdCu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(1)Ba2La2NdCu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-78°. In the third O site, O(3) is bonded to two equivalent Ba(1), one Nd(1), one La(1), one La(2), and one Cu(2) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(3)Ba2La2NdCu octahedra, edges with two equivalent O(1)Ba2La2NdCu octahedra, edges with two equivalent O(2)Ba2La3Cu octahedra, faces with two equivalent O(4)Ba2La3Nd octahedra, and faces with three equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 1-78°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Nd(1), one La(1), and two equivalent La(2) atoms to form OBa2La3Nd octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with six equivalent O(4)Ba2La3Nd octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with four equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF file [CIF]
data_Ba2La3Nd(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   6.852
_cell_length_c   6.852
_cell_angle_alpha   89.915
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.877
_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  0.001  0.997  1.0
  Ba  Ba1  1  0.500  0.497  0.501  1.0
  La  La2  1  0.000  0.824  0.324  1.0
  La  La3  1  0.000  0.323  0.174  1.0
  La  La4  1  0.000  0.674  0.823  1.0
  Nd  Nd5  1  0.000  0.174  0.674  1.0
  Cu  Cu6  1  0.500  0.499  0.999  1.0
  Cu  Cu7  1  0.500  0.001  0.501  1.0
  O  O8  1  0.740  0.357  0.857  1.0
  O  O9  1  0.738  0.640  0.140  1.0
  O  O10  1  0.741  0.141  0.364  1.0
  O  O11  1  0.741  0.864  0.641  1.0
  O  O12  1  0.262  0.640  0.140  1.0
  O  O13  1  0.260  0.357  0.857  1.0
  O  O14  1  0.259  0.864  0.641  1.0
  O  O15  1  0.259  0.141  0.364  1.0
  O  O16  1  0.000  0.498  0.502  1.0
  O  O17  1  0.000  0.002  0.998  1.0
[/CIF]
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The material described by Ba2NdLa3(CuO5)2 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Nd(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(2)Ba2La3Cu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(2)Ba2La3Cu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(2)Ba2La3Cu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the second O site, O(2) is bonded to two equivalent Ba(1), one La(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La3Cu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(1)Ba2La2NdCu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(1)Ba2La2NdCu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-78°. In the third O site, O(3) is bonded to two equivalent Ba(1), one Nd(1), one La(1), one La(2), and one Cu(2) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(3)Ba2La2NdCu octahedra, edges with two equivalent O(1)Ba2La2NdCu octahedra, edges with two equivalent O(2)Ba2La3Cu octahedra, faces with two equivalent O(4)Ba2La3Nd octahedra, and faces with three equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 1-78°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Nd(1), one La(1), and two equivalent La(2) atoms to form OBa2La3Nd octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with six equivalent O(4)Ba2La3Nd octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with four equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF file [CIF]
data_Ba2La3Nd(CuO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.918
_cell_length_b   6.852
_cell_length_c   6.852
_cell_angle_alpha   89.915
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.877
_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  0.001  0.997  1.0
  Ba  Ba1  1  0.500  0.497  0.501  1.0
  La  La2  1  0.000  0.824  0.324  1.0
  La  La3  1  0.000  0.323  0.174  1.0
  La  La4  1  0.000  0.674  0.823  1.0
  Nd  Nd5  1  0.000  0.174  0.674  1.0
  Cu  Cu6  1  0.500  0.499  0.999  1.0
  Cu  Cu7  1  0.500  0.001  0.501  1.0
  O  O8  1  0.740  0.357  0.857  1.0
  O  O9  1  0.738  0.640  0.140  1.0
  O  O10  1  0.741  0.141  0.364  1.0
  O  O11  1  0.741  0.864  0.641  1.0
  O  O12  1  0.262  0.640  0.140  1.0
  O  O13  1  0.260  0.357  0.857  1.0
  O  O14  1  0.259  0.864  0.641  1.0
  O  O15  1  0.259  0.141  0.364  1.0
  O  O16  1  0.000  0.498  0.502  1.0
  O  O17  1  0.000  0.002  0.998  1.0
[/CIF]
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