The compound described by SrTiFe4Bi4O15 crystallizes in the monoclinic Cm space group. Sr(1) is bonded to two equivalent O(6), two equivalent O(8), four equivalent O(4), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Ti(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(7) atoms to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and two equivalent Ti(1) atoms. In the second O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Bi(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Bi(2) atom. In the fourth O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Fe(2) and one Bi(2) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Fe(1) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ti(1), one Fe(1), and one Bi(1) atom. In the seventh O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Fe(1), and one Bi(1) atom. In the eighth O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Fe(2) and one Bi(2) atom. is represented by the CIF card [CIF]
data_SrTiFe4Bi4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.440
_cell_length_b   14.440
_cell_length_c   4.071
_cell_angle_alpha   89.678
_cell_angle_beta   89.678
_cell_angle_gamma   156.983
_symmetry_Int_Tables_number   1
_cell_volume   331.817
_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  0.531  0.531  0.519  1.0
  Ti  Ti1  1  0.059  0.059  0.016  1.0
  Fe  Fe2  1  0.432  0.628  0.039  1.0
  Fe  Fe3  1  0.836  0.236  0.035  1.0
  Fe  Fe4  1  0.236  0.836  0.035  1.0
  Fe  Fe5  1  0.628  0.432  0.039  1.0
  Bi  Bi6  1  0.867  0.066  0.455  1.0
  Bi  Bi7  1  0.266  0.664  0.463  1.0
  Bi  Bi8  1  0.664  0.266  0.463  1.0
  Bi  Bi9  1  0.066  0.867  0.455  1.0
  O  O10  1  0.970  0.678  0.077  1.0
  O  O11  1  0.171  0.477  0.083  1.0
  O  O12  1  0.566  0.072  0.088  1.0
  O  O13  1  0.349  0.254  0.066  1.0
  O  O14  1  0.763  0.862  0.091  1.0
  O  O15  1  0.862  0.763  0.091  1.0
  O  O16  1  0.072  0.566  0.088  1.0
  O  O17  1  0.477  0.171  0.083  1.0
  O  O18  1  0.254  0.349  0.066  1.0
  O  O19  1  0.678  0.970  0.077  1.0
  O  O20  1  0.684  0.487  0.558  1.0
  O  O21  1  0.886  0.283  0.557  1.0
  O  O22  1  0.283  0.886  0.557  1.0
  O  O23  1  0.042  0.042  0.571  1.0
  O  O24  1  0.487  0.684  0.558  1.0
[/CIF]
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The compound described by SrTiFe4Bi4O15 crystallizes in the monoclinic Cm space group. Sr(1) is bonded to two equivalent O(6), two equivalent O(8), four equivalent O(4), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. Ti(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(7) atoms to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 16-18°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 1-coordinate geometry to two equivalent Sr(1) and two equivalent Ti(1) atoms. In the second O site, O(1) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Bi(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Bi(2) atom. In the fourth O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Fe(2) and one Bi(2) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Fe(1) atom. In the sixth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ti(1), one Fe(1), and one Bi(1) atom. In the seventh O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Fe(1), and one Bi(1) atom. In the eighth O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Fe(2) and one Bi(2) atom. is represented by the CIF card [CIF]
data_SrTiFe4Bi4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.440
_cell_length_b   14.440
_cell_length_c   4.071
_cell_angle_alpha   89.678
_cell_angle_beta   89.678
_cell_angle_gamma   156.983
_symmetry_Int_Tables_number   1
_cell_volume   331.817
_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  0.531  0.531  0.519  1.0
  Ti  Ti1  1  0.059  0.059  0.016  1.0
  Fe  Fe2  1  0.432  0.628  0.039  1.0
  Fe  Fe3  1  0.836  0.236  0.035  1.0
  Fe  Fe4  1  0.236  0.836  0.035  1.0
  Fe  Fe5  1  0.628  0.432  0.039  1.0
  Bi  Bi6  1  0.867  0.066  0.455  1.0
  Bi  Bi7  1  0.266  0.664  0.463  1.0
  Bi  Bi8  1  0.664  0.266  0.463  1.0
  Bi  Bi9  1  0.066  0.867  0.455  1.0
  O  O10  1  0.970  0.678  0.077  1.0
  O  O11  1  0.171  0.477  0.083  1.0
  O  O12  1  0.566  0.072  0.088  1.0
  O  O13  1  0.349  0.254  0.066  1.0
  O  O14  1  0.763  0.862  0.091  1.0
  O  O15  1  0.862  0.763  0.091  1.0
  O  O16  1  0.072  0.566  0.088  1.0
  O  O17  1  0.477  0.171  0.083  1.0
  O  O18  1  0.254  0.349  0.066  1.0
  O  O19  1  0.678  0.970  0.077  1.0
  O  O20  1  0.684  0.487  0.558  1.0
  O  O21  1  0.886  0.283  0.557  1.0
  O  O22  1  0.283  0.886  0.557  1.0
  O  O23  1  0.042  0.042  0.571  1.0
  O  O24  1  0.487  0.684  0.558  1.0
[/CIF]
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