The material described by Sr2SmSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Sm(1), and one Sb(1) atom to form distorted corner-sharing OSr2SmSb tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sm(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sm(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Sr2SmSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   5.890
_cell_length_c   10.232
_cell_angle_alpha   55.166
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.119
_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
  Sr  Sr0  1  0.043  0.239  0.751  1.0
  Sr  Sr1  1  0.543  0.761  0.749  1.0
  Sr  Sr2  1  0.957  0.761  0.249  1.0
  Sr  Sr3  1  0.457  0.239  0.251  1.0
  Sm  Sm4  1  0.000  0.500  0.000  1.0
  Sm  Sm5  1  0.500  0.500  0.500  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.471  0.320  0.768  1.0
  O  O9  1  0.971  0.680  0.732  1.0
  O  O10  1  0.529  0.680  0.232  1.0
  O  O11  1  0.029  0.320  0.268  1.0
  O  O12  1  0.276  0.139  0.549  1.0
  O  O13  1  0.776  0.861  0.951  1.0
  O  O14  1  0.724  0.861  0.451  1.0
  O  O15  1  0.224  0.139  0.049  1.0
  O  O16  1  0.308  0.770  0.955  1.0
  O  O17  1  0.808  0.230  0.545  1.0
  O  O18  1  0.692  0.230  0.045  1.0
  O  O19  1  0.192  0.770  0.455  1.0
[/CIF]
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The material described by Sr2SmSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Sm(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SmO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Sm(1), and one Sb(1) atom to form distorted corner-sharing OSr2SmSb tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sm(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Sm(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Sr2SmSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   5.890
_cell_length_c   10.232
_cell_angle_alpha   55.166
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.119
_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
  Sr  Sr0  1  0.043  0.239  0.751  1.0
  Sr  Sr1  1  0.543  0.761  0.749  1.0
  Sr  Sr2  1  0.957  0.761  0.249  1.0
  Sr  Sr3  1  0.457  0.239  0.251  1.0
  Sm  Sm4  1  0.000  0.500  0.000  1.0
  Sm  Sm5  1  0.500  0.500  0.500  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.471  0.320  0.768  1.0
  O  O9  1  0.971  0.680  0.732  1.0
  O  O10  1  0.529  0.680  0.232  1.0
  O  O11  1  0.029  0.320  0.268  1.0
  O  O12  1  0.276  0.139  0.549  1.0
  O  O13  1  0.776  0.861  0.951  1.0
  O  O14  1  0.724  0.861  0.451  1.0
  O  O15  1  0.224  0.139  0.049  1.0
  O  O16  1  0.308  0.770  0.955  1.0
  O  O17  1  0.808  0.230  0.545  1.0
  O  O18  1  0.692  0.230  0.045  1.0
  O  O19  1  0.192  0.770  0.455  1.0
[/CIF]
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