The compound described by SmSrNiO4 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. Sm(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 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sm(1), and one Ni(1) atom to form distorted OSrSm4Ni octahedra that share  a cornercorner with one O(2)Sr4SmNi octahedra, corners with four equivalent O(1)SrSm4Ni octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 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 Sm(1), and one Ni(1) atom to form distorted OSr4SmNi octahedra that share  a cornercorner with one O(1)SrSm4Ni octahedra, corners with four equivalent O(2)Sr4SmNi octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 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 Sm(1), and two equivalent Ni(1) atoms to form distorted OSr2Sm2Ni2 octahedra that share corners with two equivalent O(3)Sr2Sm2Ni2 octahedra, corners with six equivalent O(2)Sr4SmNi octahedra, corners with six equivalent O(1)SrSm4Ni octahedra, edges with two equivalent O(3)Sr2Sm2Ni2 octahedra, faces with two equivalent O(2)Sr4SmNi octahedra, faces with two equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSmNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.718
_cell_length_b   6.718
_cell_length_c   6.718
_cell_angle_alpha   147.040
_cell_angle_beta   147.040
_cell_angle_gamma   47.304
_symmetry_Int_Tables_number   1
_cell_volume   89.403
_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
  Sm  Sm1  1  0.363  0.363  0.000  1.0
  Ni  Ni2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.837  0.837  0.000  1.0
  O  O4  1  0.175  0.175  0.000  1.0
  O  O5  1  0.990  0.490  0.500  1.0
  O  O6  1  0.490  0.990  0.500  1.0
[/CIF]
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The compound described by SmSrNiO4 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. Sm(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 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sm(1), and one Ni(1) atom to form distorted OSrSm4Ni octahedra that share  a cornercorner with one O(2)Sr4SmNi octahedra, corners with four equivalent O(1)SrSm4Ni octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 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 Sm(1), and one Ni(1) atom to form distorted OSr4SmNi octahedra that share  a cornercorner with one O(1)SrSm4Ni octahedra, corners with four equivalent O(2)Sr4SmNi octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 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 Sm(1), and two equivalent Ni(1) atoms to form distorted OSr2Sm2Ni2 octahedra that share corners with two equivalent O(3)Sr2Sm2Ni2 octahedra, corners with six equivalent O(2)Sr4SmNi octahedra, corners with six equivalent O(1)SrSm4Ni octahedra, edges with two equivalent O(3)Sr2Sm2Ni2 octahedra, faces with two equivalent O(2)Sr4SmNi octahedra, faces with two equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrSmNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.718
_cell_length_b   6.718
_cell_length_c   6.718
_cell_angle_alpha   147.040
_cell_angle_beta   147.040
_cell_angle_gamma   47.304
_symmetry_Int_Tables_number   1
_cell_volume   89.403
_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
  Sm  Sm1  1  0.363  0.363  0.000  1.0
  Ni  Ni2  1  0.003  0.003  0.000  1.0
  O  O3  1  0.837  0.837  0.000  1.0
  O  O4  1  0.175  0.175  0.000  1.0
  O  O5  1  0.990  0.490  0.500  1.0
  O  O6  1  0.490  0.990  0.500  1.0
[/CIF]
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