The compound described by LaNdSrCu2O6 crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. La(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one La(1), and one Cu(1) atom to form distorted OSr4LaCu octahedra that share corners with four equivalent O(4)La2Nd2Cu2 octahedra, corners with four equivalent O(1)Sr4LaCu octahedra, corners with eight equivalent O(3)Sr2Nd2Cu2 octahedra, edges with four equivalent O(1)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. In the second O site, O(2) is bonded to one Sr(1), four equivalent La(1), and one Cu(2) atom to form OSrLa4Cu octahedra that share corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with eight equivalent O(4)La2Nd2Cu2 octahedra, edges with four equivalent O(1)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(4)La2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with two equivalent O(3)Sr2Nd2Cu2 octahedra, corners with two equivalent O(2)SrLa4Cu octahedra, corners with four equivalent O(1)Sr4LaCu octahedra, corners with six equivalent O(4)La2Nd2Cu2 octahedra,  an edgeedge with one O(4)La2Nd2Cu2 octahedra, edges with two equivalent O(3)Sr2Nd2Cu2 octahedra, faces with two equivalent O(1)Sr4LaCu octahedra, and faces with four equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the fourth O site, O(4) is bonded to two equivalent Nd(1), two equivalent La(1), and two equivalent Cu(2) atoms to form distorted OLa2Nd2Cu2 octahedra that share corners with two equivalent O(4)La2Nd2Cu2 octahedra, corners with two equivalent O(1)Sr4LaCu octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with six equivalent O(3)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(3)Sr2Nd2Cu2 octahedra, edges with two equivalent O(4)La2Nd2Cu2 octahedra, faces with two equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(4)La2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. is represented by the CIF card [CIF]
data_SrLaNd(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   10.348
_cell_angle_alpha   158.429
_cell_angle_beta   158.429
_cell_angle_gamma   30.692
_symmetry_Int_Tables_number   1
_cell_volume   149.694
_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
  Sr  Sr0  1  0.821  0.821  0.000  1.0
  La  La1  1  0.182  0.182  0.000  1.0
  Nd  Nd2  1  0.999  0.999  0.000  1.0
  Cu  Cu3  1  0.410  0.410  0.000  1.0
  Cu  Cu4  1  0.588  0.588  0.000  1.0
  O  O5  1  0.293  0.293  0.000  1.0
  O  O6  1  0.699  0.699  0.000  1.0
  O  O7  1  0.923  0.423  0.500  1.0
  O  O8  1  0.423  0.923  0.500  1.0
  O  O9  1  0.080  0.580  0.500  1.0
  O  O10  1  0.580  0.080  0.500  1.0
[/CIF]
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The compound described by LaNdSrCu2O6 crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. La(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one La(1), and one Cu(1) atom to form distorted OSr4LaCu octahedra that share corners with four equivalent O(4)La2Nd2Cu2 octahedra, corners with four equivalent O(1)Sr4LaCu octahedra, corners with eight equivalent O(3)Sr2Nd2Cu2 octahedra, edges with four equivalent O(1)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 23-52°. In the second O site, O(2) is bonded to one Sr(1), four equivalent La(1), and one Cu(2) atom to form OSrLa4Cu octahedra that share corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with eight equivalent O(4)La2Nd2Cu2 octahedra, edges with four equivalent O(1)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(4)La2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with two equivalent O(3)Sr2Nd2Cu2 octahedra, corners with two equivalent O(2)SrLa4Cu octahedra, corners with four equivalent O(1)Sr4LaCu octahedra, corners with six equivalent O(4)La2Nd2Cu2 octahedra,  an edgeedge with one O(4)La2Nd2Cu2 octahedra, edges with two equivalent O(3)Sr2Nd2Cu2 octahedra, faces with two equivalent O(1)Sr4LaCu octahedra, and faces with four equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the fourth O site, O(4) is bonded to two equivalent Nd(1), two equivalent La(1), and two equivalent Cu(2) atoms to form distorted OLa2Nd2Cu2 octahedra that share corners with two equivalent O(4)La2Nd2Cu2 octahedra, corners with two equivalent O(1)Sr4LaCu octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with six equivalent O(3)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(3)Sr2Nd2Cu2 octahedra, edges with two equivalent O(4)La2Nd2Cu2 octahedra, faces with two equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(4)La2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. is represented by the CIF card [CIF]
data_SrLaNd(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.348
_cell_length_b   10.348
_cell_length_c   10.348
_cell_angle_alpha   158.429
_cell_angle_beta   158.429
_cell_angle_gamma   30.692
_symmetry_Int_Tables_number   1
_cell_volume   149.694
_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
  Sr  Sr0  1  0.821  0.821  0.000  1.0
  La  La1  1  0.182  0.182  0.000  1.0
  Nd  Nd2  1  0.999  0.999  0.000  1.0
  Cu  Cu3  1  0.410  0.410  0.000  1.0
  Cu  Cu4  1  0.588  0.588  0.000  1.0
  O  O5  1  0.293  0.293  0.000  1.0
  O  O6  1  0.699  0.699  0.000  1.0
  O  O7  1  0.923  0.423  0.500  1.0
  O  O8  1  0.423  0.923  0.500  1.0
  O  O9  1  0.080  0.580  0.500  1.0
  O  O10  1  0.580  0.080  0.500  1.0
[/CIF]
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