The structure described by LaNdCuO4 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner, face, and edge-sharing OLa2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Nd(1), two equivalent La(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), three equivalent La(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_LaNdCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.024
_cell_length_c   5.422
_cell_angle_alpha   89.754
_cell_angle_beta   89.754
_cell_angle_gamma   44.710
_symmetry_Int_Tables_number   1
_cell_volume   188.193
_cell_formula_units_Z   2
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
  La  La0  1  0.140  0.140  0.510  1.0
  La  La1  1  0.860  0.860  0.490  1.0
  Nd  Nd2  1  0.363  0.363  0.014  1.0
  Nd  Nd3  1  0.637  0.637  0.986  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.244  0.739  0.754  1.0
  O  O7  1  0.261  0.756  0.246  1.0
  O  O8  1  0.756  0.261  0.246  1.0
  O  O9  1  0.739  0.244  0.754  1.0
  O  O10  1  0.186  0.186  0.962  1.0
  O  O11  1  0.814  0.814  0.038  1.0
  O  O12  1  0.315  0.315  0.457  1.0
  O  O13  1  0.685  0.685  0.543  1.0
[/CIF]
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The structure described by LaNdCuO4 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner, face, and edge-sharing OLa2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Nd(1), two equivalent La(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), three equivalent La(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_LaNdCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.024
_cell_length_c   5.422
_cell_angle_alpha   89.754
_cell_angle_beta   89.754
_cell_angle_gamma   44.710
_symmetry_Int_Tables_number   1
_cell_volume   188.193
_cell_formula_units_Z   2
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
  La  La0  1  0.140  0.140  0.510  1.0
  La  La1  1  0.860  0.860  0.490  1.0
  Nd  Nd2  1  0.363  0.363  0.014  1.0
  Nd  Nd3  1  0.637  0.637  0.986  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.244  0.739  0.754  1.0
  O  O7  1  0.261  0.756  0.246  1.0
  O  O8  1  0.756  0.261  0.246  1.0
  O  O9  1  0.739  0.244  0.754  1.0
  O  O10  1  0.186  0.186  0.962  1.0
  O  O11  1  0.814  0.814  0.038  1.0
  O  O12  1  0.315  0.315  0.457  1.0
  O  O13  1  0.685  0.685  0.543  1.0
[/CIF]
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