The material described by SrFeBi2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. Fe(1) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, and faces with four equivalent Bi(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(4), and four equivalent O(3) atoms to form BiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with five equivalent Bi(1)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Bi site, Bi(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra are not tilted. In the third Bi site, Bi(3) is bonded to four equivalent O(5) and eight equivalent O(1) atoms to form BiO12 cuboctahedra that share corners with four equivalent Bi(3)O12 cuboctahedra, faces with four equivalent Bi(3)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Fe(1), and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form OBi6 octahedra that share corners with two equivalent O(4)Sr4FeBi octahedra, corners with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(2)Bi6 octahedra, and edges with eight equivalent O(3)SrBi5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Sr(1), one Bi(2), and four equivalent Bi(1) atoms to form OSrBi5 octahedra that share corners with five equivalent O(3)SrBi5 octahedra, edges with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Bi(1) atom to form distorted OSr4FeBi octahedra that share  a cornercorner with one O(2)Bi6 octahedra, corners with four equivalent O(4)Sr4FeBi octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Fe(1) and four equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_SrFeBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   3.863
_cell_length_c   17.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.328
_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  0.500  0.500  0.209  1.0
  Sr  Sr1  1  0.500  0.500  0.791  1.0
  Fe  Fe2  1  0.000  0.000  0.111  1.0
  Fe  Fe3  1  0.000  0.000  0.889  1.0
  Bi  Bi4  1  0.000  0.000  0.358  1.0
  Bi  Bi5  1  0.000  0.000  0.642  1.0
  Bi  Bi6  1  0.500  0.500  0.500  1.0
  Bi  Bi7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.500  0.111  1.0
  O  O9  1  0.000  0.500  0.889  1.0
  O  O10  1  0.500  0.000  0.111  1.0
  O  O11  1  0.500  0.000  0.889  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.500  0.361  1.0
  O  O14  1  0.500  0.500  0.639  1.0
  O  O15  1  0.000  0.000  0.235  1.0
  O  O16  1  0.000  0.000  0.765  1.0
  O  O17  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by SrFeBi2O5 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. Fe(1) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Bi(1)O6 octahedra, corners with five equivalent Fe(1)O6 octahedra, and faces with four equivalent Bi(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(2), one O(4), and four equivalent O(3) atoms to form BiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with five equivalent Bi(1)O6 octahedra, edges with four equivalent Bi(1)O6 octahedra, and edges with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Bi site, Bi(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedra are not tilted. In the third Bi site, Bi(3) is bonded to four equivalent O(5) and eight equivalent O(1) atoms to form BiO12 cuboctahedra that share corners with four equivalent Bi(3)O12 cuboctahedra, faces with four equivalent Bi(3)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Fe(1), and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form OBi6 octahedra that share corners with two equivalent O(4)Sr4FeBi octahedra, corners with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(2)Bi6 octahedra, and edges with eight equivalent O(3)SrBi5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Sr(1), one Bi(2), and four equivalent Bi(1) atoms to form OSrBi5 octahedra that share corners with five equivalent O(3)SrBi5 octahedra, edges with four equivalent O(2)Bi6 octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Fe(1), and one Bi(1) atom to form distorted OSr4FeBi octahedra that share  a cornercorner with one O(2)Bi6 octahedra, corners with four equivalent O(4)Sr4FeBi octahedra, edges with four equivalent O(4)Sr4FeBi octahedra, and edges with four equivalent O(3)SrBi5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Fe(1) and four equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_SrFeBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.863
_cell_length_b   3.863
_cell_length_c   17.979
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   268.328
_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  0.500  0.500  0.209  1.0
  Sr  Sr1  1  0.500  0.500  0.791  1.0
  Fe  Fe2  1  0.000  0.000  0.111  1.0
  Fe  Fe3  1  0.000  0.000  0.889  1.0
  Bi  Bi4  1  0.000  0.000  0.358  1.0
  Bi  Bi5  1  0.000  0.000  0.642  1.0
  Bi  Bi6  1  0.500  0.500  0.500  1.0
  Bi  Bi7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.500  0.111  1.0
  O  O9  1  0.000  0.500  0.889  1.0
  O  O10  1  0.500  0.000  0.111  1.0
  O  O11  1  0.500  0.000  0.889  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.500  0.500  0.361  1.0
  O  O14  1  0.500  0.500  0.639  1.0
  O  O15  1  0.000  0.000  0.235  1.0
  O  O16  1  0.000  0.000  0.765  1.0
  O  O17  1  0.000  0.000  0.000  1.0
[/CIF]
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