The material structure described by Sm2CoNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1), one Co(1), and one Ni(1) atom to form distorted corner-sharing OSm2CoNi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sm(1), one Co(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sm(1), one Co(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Sm2CoNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   5.346
_cell_length_c   9.325
_cell_angle_alpha   55.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.589
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.565  0.733  0.752  1.0
  Sm  Sm1  1  0.065  0.267  0.748  1.0
  Sm  Sm2  1  0.435  0.267  0.248  1.0
  Sm  Sm3  1  0.935  0.733  0.252  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.973  0.842  0.751  1.0
  O  O9  1  0.473  0.158  0.749  1.0
  O  O10  1  0.027  0.158  0.249  1.0
  O  O11  1  0.527  0.842  0.251  1.0
  O  O12  1  0.807  0.262  0.953  1.0
  O  O13  1  0.307  0.738  0.547  1.0
  O  O14  1  0.202  0.350  0.450  1.0
  O  O15  1  0.702  0.650  0.050  1.0
  O  O16  1  0.193  0.738  0.047  1.0
  O  O17  1  0.693  0.262  0.453  1.0
  O  O18  1  0.798  0.650  0.550  1.0
  O  O19  1  0.298  0.350  0.950  1.0
[/CIF]
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The material structure described by Sm2CoNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sm(1), one Co(1), and one Ni(1) atom to form distorted corner-sharing OSm2CoNi tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sm(1), one Co(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sm(1), one Co(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Sm2CoNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.611
_cell_length_b   5.346
_cell_length_c   9.325
_cell_angle_alpha   55.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.589
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.565  0.733  0.752  1.0
  Sm  Sm1  1  0.065  0.267  0.748  1.0
  Sm  Sm2  1  0.435  0.267  0.248  1.0
  Sm  Sm3  1  0.935  0.733  0.252  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.973  0.842  0.751  1.0
  O  O9  1  0.473  0.158  0.749  1.0
  O  O10  1  0.027  0.158  0.249  1.0
  O  O11  1  0.527  0.842  0.251  1.0
  O  O12  1  0.807  0.262  0.953  1.0
  O  O13  1  0.307  0.738  0.547  1.0
  O  O14  1  0.202  0.350  0.450  1.0
  O  O15  1  0.702  0.650  0.050  1.0
  O  O16  1  0.193  0.738  0.047  1.0
  O  O17  1  0.693  0.262  0.453  1.0
  O  O18  1  0.798  0.650  0.550  1.0
  O  O19  1  0.298  0.350  0.950  1.0
[/CIF]
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