The crystal structure described by BaSrSmNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Sm(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrSmNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   6.087
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   159.455
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Sr  Sr1  1  0.250  0.250  0.250  1.0
  Sm  Sm2  1  0.500  0.500  0.500  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.766  0.234  0.234  1.0
  O  O5  1  0.234  0.766  0.766  1.0
  O  O6  1  0.766  0.234  0.766  1.0
  O  O7  1  0.234  0.766  0.234  1.0
  O  O8  1  0.766  0.766  0.234  1.0
  O  O9  1  0.234  0.234  0.766  1.0
[/CIF]
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The crystal structure described by BaSrSmNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Sr(1) is bonded to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Sr(1), one Sm(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrSmNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.087
_cell_length_c   6.087
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   159.455
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Sr  Sr1  1  0.250  0.250  0.250  1.0
  Sm  Sm2  1  0.500  0.500  0.500  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.766  0.234  0.234  1.0
  O  O5  1  0.234  0.766  0.766  1.0
  O  O6  1  0.766  0.234  0.766  1.0
  O  O7  1  0.234  0.766  0.234  1.0
  O  O8  1  0.766  0.766  0.234  1.0
  O  O9  1  0.234  0.234  0.766  1.0
[/CIF]
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