The compound described by GdSrNiO4 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. Gd(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 9°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Gd(1), and one Ni(1) atom to form distorted OSrGd4Ni octahedra that share  a cornercorner with one O(2)Sr4GdNi octahedra, corners with four equivalent O(1)SrGd4Ni octahedra, corners with twelve equivalent O(3)Sr2Gd2Ni2 octahedra, edges with four equivalent O(2)Sr4GdNi octahedra, edges with four equivalent O(1)SrGd4Ni octahedra, and faces with four equivalent O(3)Sr2Gd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Gd(1), and one Ni(1) atom to form distorted OSr4GdNi octahedra that share  a cornercorner with one O(1)SrGd4Ni octahedra, corners with four equivalent O(2)Sr4GdNi octahedra, corners with twelve equivalent O(3)Sr2Gd2Ni2 octahedra, edges with four equivalent O(2)Sr4GdNi octahedra, edges with four equivalent O(1)SrGd4Ni octahedra, and faces with four equivalent O(3)Sr2Gd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Ni(1) atoms to form distorted OSr2Gd2Ni2 octahedra that share corners with two equivalent O(3)Sr2Gd2Ni2 octahedra, corners with six equivalent O(2)Sr4GdNi octahedra, corners with six equivalent O(1)SrGd4Ni octahedra, edges with two equivalent O(3)Sr2Gd2Ni2 octahedra, faces with two equivalent O(2)Sr4GdNi octahedra, faces with two equivalent O(1)SrGd4Ni octahedra, and faces with four equivalent O(3)Sr2Gd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. is represented by the CIF file [CIF]
data_SrGdNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.691
_cell_length_b   6.691
_cell_length_c   6.691
_cell_angle_alpha   146.921
_cell_angle_beta   146.921
_cell_angle_gamma   47.480
_symmetry_Int_Tables_number   1
_cell_volume   88.882
_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  0.642  0.642  0.000  1.0
  Gd  Gd1  1  0.363  0.363  0.000  1.0
  Ni  Ni2  1  0.002  0.002  0.000  1.0
  O  O3  1  0.837  0.837  0.000  1.0
  O  O4  1  0.176  0.176  0.000  1.0
  O  O5  1  0.490  0.990  0.500  1.0
  O  O6  1  0.990  0.490  0.500  1.0
[/CIF]
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The compound described by GdSrNiO4 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. Gd(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 9°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Gd(1), and one Ni(1) atom to form distorted OSrGd4Ni octahedra that share  a cornercorner with one O(2)Sr4GdNi octahedra, corners with four equivalent O(1)SrGd4Ni octahedra, corners with twelve equivalent O(3)Sr2Gd2Ni2 octahedra, edges with four equivalent O(2)Sr4GdNi octahedra, edges with four equivalent O(1)SrGd4Ni octahedra, and faces with four equivalent O(3)Sr2Gd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Gd(1), and one Ni(1) atom to form distorted OSr4GdNi octahedra that share  a cornercorner with one O(1)SrGd4Ni octahedra, corners with four equivalent O(2)Sr4GdNi octahedra, corners with twelve equivalent O(3)Sr2Gd2Ni2 octahedra, edges with four equivalent O(2)Sr4GdNi octahedra, edges with four equivalent O(1)SrGd4Ni octahedra, and faces with four equivalent O(3)Sr2Gd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Gd(1), and two equivalent Ni(1) atoms to form distorted OSr2Gd2Ni2 octahedra that share corners with two equivalent O(3)Sr2Gd2Ni2 octahedra, corners with six equivalent O(2)Sr4GdNi octahedra, corners with six equivalent O(1)SrGd4Ni octahedra, edges with two equivalent O(3)Sr2Gd2Ni2 octahedra, faces with two equivalent O(2)Sr4GdNi octahedra, faces with two equivalent O(1)SrGd4Ni octahedra, and faces with four equivalent O(3)Sr2Gd2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. is represented by the CIF file [CIF]
data_SrGdNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.691
_cell_length_b   6.691
_cell_length_c   6.691
_cell_angle_alpha   146.921
_cell_angle_beta   146.921
_cell_angle_gamma   47.480
_symmetry_Int_Tables_number   1
_cell_volume   88.882
_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  0.642  0.642  0.000  1.0
  Gd  Gd1  1  0.363  0.363  0.000  1.0
  Ni  Ni2  1  0.002  0.002  0.000  1.0
  O  O3  1  0.837  0.837  0.000  1.0
  O  O4  1  0.176  0.176  0.000  1.0
  O  O5  1  0.490  0.990  0.500  1.0
  O  O6  1  0.990  0.490  0.500  1.0
[/CIF]
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