The structure described by SrFe3Bi2O9 crystallizes in the trigonal P-3m1 space group. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with six equivalent Fe(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. Bi(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), one Fe(1), one Fe(2), and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_SrFe3Bi2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.587
_cell_length_c   6.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.643
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.667  0.333  0.352  1.0
  Fe  Fe2  1  0.333  0.667  0.648  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.667  0.333  0.889  1.0
  Bi  Bi5  1  0.333  0.667  0.111  1.0
  O  O6  1  0.826  0.174  0.154  1.0
  O  O7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.174  0.826  0.846  1.0
  O  O9  1  0.000  0.500  0.500  1.0
  O  O10  1  0.652  0.826  0.846  1.0
  O  O11  1  0.348  0.174  0.154  1.0
  O  O12  1  0.826  0.652  0.154  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.174  0.348  0.846  1.0
[/CIF]
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The structure described by SrFe3Bi2O9 crystallizes in the trigonal P-3m1 space group. Sr(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with six equivalent Fe(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. Bi(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Sr(1), one Fe(1), one Fe(2), and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_SrFe3Bi2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.587
_cell_length_b   5.587
_cell_length_c   6.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   185.643
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.667  0.333  0.352  1.0
  Fe  Fe2  1  0.333  0.667  0.648  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.667  0.333  0.889  1.0
  Bi  Bi5  1  0.333  0.667  0.111  1.0
  O  O6  1  0.826  0.174  0.154  1.0
  O  O7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.174  0.826  0.846  1.0
  O  O9  1  0.000  0.500  0.500  1.0
  O  O10  1  0.652  0.826  0.846  1.0
  O  O11  1  0.348  0.174  0.154  1.0
  O  O12  1  0.826  0.652  0.154  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.174  0.348  0.846  1.0
[/CIF]
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