The structure described by Ba2Fe2Ti4O13 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. Fe(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-21°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), two equivalent Ti(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ti(1), one Ti(2), and two equivalent Fe(1) atoms to form distorted OBaTi2Fe2 trigonal pyramids that share  a cornercorner with one O(6)Ti3Fe trigonal pyramid, corners with two equivalent O(4)BaTi2Fe2 trigonal pyramids, and edges with two equivalent O(6)Ti3Fe trigonal pyramids. In the fifth O site, O(5) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded to three equivalent Ti(1) and one Fe(1) atom to form OTi3Fe trigonal pyramids that share  a cornercorner with one O(4)BaTi2Fe2 trigonal pyramid, corners with two equivalent O(6)Ti3Fe trigonal pyramids, edges with two equivalent O(4)BaTi2Fe2 trigonal pyramids, and edges with two equivalent O(6)Ti3Fe trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Ba2Ti4Fe2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.904
_cell_length_b   7.904
_cell_length_c   9.258
_cell_angle_alpha   81.420
_cell_angle_beta   81.420
_cell_angle_gamma   28.797
_symmetry_Int_Tables_number   1
_cell_volume   275.322
_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  0.550  0.550  0.231  1.0
  Ba  Ba1  1  0.450  0.450  0.769  1.0
  Ti  Ti2  1  0.834  0.834  0.436  1.0
  Ti  Ti3  1  0.166  0.166  0.564  1.0
  Ti  Ti4  1  0.878  0.878  0.086  1.0
  Ti  Ti5  1  0.122  0.122  0.914  1.0
  Fe  Fe6  1  0.242  0.242  0.237  1.0
  Fe  Fe7  1  0.758  0.758  0.763  1.0
  O  O8  1  0.872  0.872  0.614  1.0
  O  O9  1  0.128  0.128  0.386  1.0
  O  O10  1  0.369  0.369  0.112  1.0
  O  O11  1  0.631  0.631  0.888  1.0
  O  O12  1  0.931  0.931  0.300  1.0
  O  O13  1  0.069  0.069  0.700  1.0
  O  O14  1  0.765  0.765  0.241  1.0
  O  O15  1  0.235  0.235  0.759  1.0
  O  O16  1  0.000  0.000  0.000  1.0
  O  O17  1  0.700  0.700  0.569  1.0
  O  O18  1  0.300  0.300  0.431  1.0
  O  O19  1  0.165  0.165  0.086  1.0
  O  O20  1  0.835  0.835  0.914  1.0
[/CIF]
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The structure described by Ba2Fe2Ti4O13 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), and three equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. Fe(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-21°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), two equivalent Ti(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ti(1), one Ti(2), and two equivalent Fe(1) atoms to form distorted OBaTi2Fe2 trigonal pyramids that share  a cornercorner with one O(6)Ti3Fe trigonal pyramid, corners with two equivalent O(4)BaTi2Fe2 trigonal pyramids, and edges with two equivalent O(6)Ti3Fe trigonal pyramids. In the fifth O site, O(5) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded to three equivalent Ti(1) and one Fe(1) atom to form OTi3Fe trigonal pyramids that share  a cornercorner with one O(4)BaTi2Fe2 trigonal pyramid, corners with two equivalent O(6)Ti3Fe trigonal pyramids, edges with two equivalent O(4)BaTi2Fe2 trigonal pyramids, and edges with two equivalent O(6)Ti3Fe trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Ba2Ti4Fe2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.904
_cell_length_b   7.904
_cell_length_c   9.258
_cell_angle_alpha   81.420
_cell_angle_beta   81.420
_cell_angle_gamma   28.797
_symmetry_Int_Tables_number   1
_cell_volume   275.322
_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  0.550  0.550  0.231  1.0
  Ba  Ba1  1  0.450  0.450  0.769  1.0
  Ti  Ti2  1  0.834  0.834  0.436  1.0
  Ti  Ti3  1  0.166  0.166  0.564  1.0
  Ti  Ti4  1  0.878  0.878  0.086  1.0
  Ti  Ti5  1  0.122  0.122  0.914  1.0
  Fe  Fe6  1  0.242  0.242  0.237  1.0
  Fe  Fe7  1  0.758  0.758  0.763  1.0
  O  O8  1  0.872  0.872  0.614  1.0
  O  O9  1  0.128  0.128  0.386  1.0
  O  O10  1  0.369  0.369  0.112  1.0
  O  O11  1  0.631  0.631  0.888  1.0
  O  O12  1  0.931  0.931  0.300  1.0
  O  O13  1  0.069  0.069  0.700  1.0
  O  O14  1  0.765  0.765  0.241  1.0
  O  O15  1  0.235  0.235  0.759  1.0
  O  O16  1  0.000  0.000  0.000  1.0
  O  O17  1  0.700  0.700  0.569  1.0
  O  O18  1  0.300  0.300  0.431  1.0
  O  O19  1  0.165  0.165  0.086  1.0
  O  O20  1  0.835  0.835  0.914  1.0
[/CIF]
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