The material described by NdSrNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Ni(1) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(2)Sr4NdNi octahedra, corners with four equivalent O(1)SrNd4Ni octahedra, corners with twelve equivalent O(3)Sr2Nd2Ni2 octahedra, edges with four equivalent O(2)Sr4NdNi octahedra, edges with four equivalent O(1)SrNd4Ni octahedra, and faces with four equivalent O(3)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Ni(1) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(1)SrNd4Ni octahedra, corners with four equivalent O(2)Sr4NdNi octahedra, corners with twelve equivalent O(3)Sr2Nd2Ni2 octahedra, edges with four equivalent O(2)Sr4NdNi octahedra, edges with four equivalent O(1)SrNd4Ni octahedra, and faces with four equivalent O(3)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Ni(1) atoms to form distorted OSr2Nd2Ni2 octahedra that share corners with two equivalent O(3)Sr2Nd2Ni2 octahedra, corners with six equivalent O(2)Sr4NdNi octahedra, corners with six equivalent O(1)SrNd4Ni octahedra, edges with two equivalent O(3)Sr2Nd2Ni2 octahedra, faces with two equivalent O(2)Sr4NdNi octahedra, faces with two equivalent O(1)SrNd4Ni octahedra, and faces with four equivalent O(3)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. is represented by the CIF file [CIF]
data_SrNdNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   147.209
_cell_angle_beta   147.209
_cell_angle_gamma   47.054
_symmetry_Int_Tables_number   1
_cell_volume   88.286
_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  0.641  0.641  0.000  1.0
  Nd  Nd1  1  0.362  0.362  0.000  1.0
  Ni  Ni2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.839  0.839  0.000  1.0
  O  O4  1  0.170  0.170  0.000  1.0
  O  O5  1  0.992  0.492  0.500  1.0
  O  O6  1  0.492  0.992  0.500  1.0
[/CIF]
.
The material described by NdSrNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Ni(1) atom to form distorted OSrNd4Ni octahedra that share  a cornercorner with one O(2)Sr4NdNi octahedra, corners with four equivalent O(1)SrNd4Ni octahedra, corners with twelve equivalent O(3)Sr2Nd2Ni2 octahedra, edges with four equivalent O(2)Sr4NdNi octahedra, edges with four equivalent O(1)SrNd4Ni octahedra, and faces with four equivalent O(3)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Ni(1) atom to form distorted OSr4NdNi octahedra that share  a cornercorner with one O(1)SrNd4Ni octahedra, corners with four equivalent O(2)Sr4NdNi octahedra, corners with twelve equivalent O(3)Sr2Nd2Ni2 octahedra, edges with four equivalent O(2)Sr4NdNi octahedra, edges with four equivalent O(1)SrNd4Ni octahedra, and faces with four equivalent O(3)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Ni(1) atoms to form distorted OSr2Nd2Ni2 octahedra that share corners with two equivalent O(3)Sr2Nd2Ni2 octahedra, corners with six equivalent O(2)Sr4NdNi octahedra, corners with six equivalent O(1)SrNd4Ni octahedra, edges with two equivalent O(3)Sr2Nd2Ni2 octahedra, faces with two equivalent O(2)Sr4NdNi octahedra, faces with two equivalent O(1)SrNd4Ni octahedra, and faces with four equivalent O(3)Sr2Nd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. is represented by the CIF file [CIF]
data_SrNdNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.710
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   147.209
_cell_angle_beta   147.209
_cell_angle_gamma   47.054
_symmetry_Int_Tables_number   1
_cell_volume   88.286
_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  0.641  0.641  0.000  1.0
  Nd  Nd1  1  0.362  0.362  0.000  1.0
  Ni  Ni2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.839  0.839  0.000  1.0
  O  O4  1  0.170  0.170  0.000  1.0
  O  O5  1  0.992  0.492  0.500  1.0
  O  O6  1  0.492  0.992  0.500  1.0
[/CIF]
.