The material structure described by SrSmCoO4 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. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing CoO6 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 Sm(1), and one Co(1) atom to form distorted OSrSm4Co octahedra that share  a cornercorner with one O(2)Sr4SmCo octahedra, corners with four equivalent O(1)SrSm4Co octahedra, corners with twelve equivalent O(3)Sr2Sm2Co2 octahedra, edges with four equivalent O(2)Sr4SmCo octahedra, edges with four equivalent O(1)SrSm4Co octahedra, and faces with four equivalent O(3)Sr2Sm2Co2 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 Sm(1), and one Co(1) atom to form distorted OSr4SmCo octahedra that share  a cornercorner with one O(1)SrSm4Co octahedra, corners with four equivalent O(2)Sr4SmCo octahedra, corners with twelve equivalent O(3)Sr2Sm2Co2 octahedra, edges with four equivalent O(2)Sr4SmCo octahedra, edges with four equivalent O(1)SrSm4Co octahedra, and faces with four equivalent O(3)Sr2Sm2Co2 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 Co(1) atoms to form distorted OSr2Sm2Co2 octahedra that share corners with two equivalent O(3)Sr2Sm2Co2 octahedra, corners with six equivalent O(2)Sr4SmCo octahedra, corners with six equivalent O(1)SrSm4Co octahedra, edges with two equivalent O(3)Sr2Sm2Co2 octahedra, faces with two equivalent O(2)Sr4SmCo octahedra, faces with two equivalent O(1)SrSm4Co octahedra, and faces with four equivalent O(3)Sr2Sm2Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. is represented by the CIF file [CIF]
data_SrSmCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   6.784
_cell_length_c   6.784
_cell_angle_alpha   147.408
_cell_angle_beta   147.408
_cell_angle_gamma   46.760
_symmetry_Int_Tables_number   1
_cell_volume   90.259
_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  0.644  0.644  0.000  1.0
  Sm  Sm1  1  0.361  0.361  0.000  1.0
  Co  Co2  1  0.001  0.001  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  0.990  0.490  0.500  1.0
  O  O6  1  0.490  0.990  0.500  1.0
[/CIF]
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The material structure described by SrSmCoO4 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. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing CoO6 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 Sm(1), and one Co(1) atom to form distorted OSrSm4Co octahedra that share  a cornercorner with one O(2)Sr4SmCo octahedra, corners with four equivalent O(1)SrSm4Co octahedra, corners with twelve equivalent O(3)Sr2Sm2Co2 octahedra, edges with four equivalent O(2)Sr4SmCo octahedra, edges with four equivalent O(1)SrSm4Co octahedra, and faces with four equivalent O(3)Sr2Sm2Co2 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 Sm(1), and one Co(1) atom to form distorted OSr4SmCo octahedra that share  a cornercorner with one O(1)SrSm4Co octahedra, corners with four equivalent O(2)Sr4SmCo octahedra, corners with twelve equivalent O(3)Sr2Sm2Co2 octahedra, edges with four equivalent O(2)Sr4SmCo octahedra, edges with four equivalent O(1)SrSm4Co octahedra, and faces with four equivalent O(3)Sr2Sm2Co2 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 Co(1) atoms to form distorted OSr2Sm2Co2 octahedra that share corners with two equivalent O(3)Sr2Sm2Co2 octahedra, corners with six equivalent O(2)Sr4SmCo octahedra, corners with six equivalent O(1)SrSm4Co octahedra, edges with two equivalent O(3)Sr2Sm2Co2 octahedra, faces with two equivalent O(2)Sr4SmCo octahedra, faces with two equivalent O(1)SrSm4Co octahedra, and faces with four equivalent O(3)Sr2Sm2Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. is represented by the CIF file [CIF]
data_SrSmCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   6.784
_cell_length_c   6.784
_cell_angle_alpha   147.408
_cell_angle_beta   147.408
_cell_angle_gamma   46.760
_symmetry_Int_Tables_number   1
_cell_volume   90.259
_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  0.644  0.644  0.000  1.0
  Sm  Sm1  1  0.361  0.361  0.000  1.0
  Co  Co2  1  0.001  0.001  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  0.990  0.490  0.500  1.0
  O  O6  1  0.490  0.990  0.500  1.0
[/CIF]
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