The structure described by Nd(CuO2)2 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) 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 two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), one Cu(1), and one Cu(2) atom to form a mixture of corner and edge-sharing ONd2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONd2Cu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.826
_cell_length_c   6.315
_cell_angle_alpha   116.936
_cell_angle_beta   116.486
_cell_angle_gamma   91.094
_symmetry_Int_Tables_number   1
_cell_volume   162.053
_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
  Nd  Nd0  1  0.875  0.125  0.749  1.0
  Nd  Nd1  1  0.125  0.875  0.251  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.708  0.528  0.854  1.0
  O  O7  1  0.146  0.826  0.854  1.0
  O  O8  1  0.292  0.472  0.146  1.0
  O  O9  1  0.854  0.174  0.146  1.0
  O  O10  1  0.537  0.143  0.348  1.0
  O  O11  1  0.810  0.704  0.348  1.0
  O  O12  1  0.190  0.296  0.652  1.0
  O  O13  1  0.463  0.857  0.652  1.0
[/CIF]
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The structure described by Nd(CuO2)2 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) 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 two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), one Cu(1), and one Cu(2) atom to form a mixture of corner and edge-sharing ONd2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONd2Cu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.826
_cell_length_c   6.315
_cell_angle_alpha   116.936
_cell_angle_beta   116.486
_cell_angle_gamma   91.094
_symmetry_Int_Tables_number   1
_cell_volume   162.053
_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
  Nd  Nd0  1  0.875  0.125  0.749  1.0
  Nd  Nd1  1  0.125  0.875  0.251  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.708  0.528  0.854  1.0
  O  O7  1  0.146  0.826  0.854  1.0
  O  O8  1  0.292  0.472  0.146  1.0
  O  O9  1  0.854  0.174  0.146  1.0
  O  O10  1  0.537  0.143  0.348  1.0
  O  O11  1  0.810  0.704  0.348  1.0
  O  O12  1  0.190  0.296  0.652  1.0
  O  O13  1  0.463  0.857  0.652  1.0
[/CIF]
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