The crystal structure described by Bi2FeTiO6 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Fe(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(2), and one O(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Bi(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Fe(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_TiFe(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.839
_cell_length_b   6.471
_cell_length_c   7.154
_cell_angle_alpha   118.167
_cell_angle_beta   141.428
_cell_angle_gamma   46.036
_symmetry_Int_Tables_number   1
_cell_volume   201.823
_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
  Ti  Ti0  1  0.645  0.719  0.221  1.0
  Fe  Fe1  1  0.323  0.391  0.905  1.0
  Bi  Bi2  1  0.921  0.027  0.972  1.0
  Bi  Bi3  1  0.033  0.363  0.981  1.0
  O  O4  1  0.403  0.104  0.430  1.0
  O  O5  1  0.369  0.091  0.991  1.0
  O  O6  1  0.827  0.490  0.118  1.0
  O  O7  1  0.484  0.306  0.598  1.0
  O  O8  1  0.527  0.540  0.143  1.0
  O  O9  1  0.926  0.699  0.641  1.0
[/CIF]
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The crystal structure described by Bi2FeTiO6 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Fe(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(2), and one O(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Bi(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Fe(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_TiFe(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.839
_cell_length_b   6.471
_cell_length_c   7.154
_cell_angle_alpha   118.167
_cell_angle_beta   141.428
_cell_angle_gamma   46.036
_symmetry_Int_Tables_number   1
_cell_volume   201.823
_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
  Ti  Ti0  1  0.645  0.719  0.221  1.0
  Fe  Fe1  1  0.323  0.391  0.905  1.0
  Bi  Bi2  1  0.921  0.027  0.972  1.0
  Bi  Bi3  1  0.033  0.363  0.981  1.0
  O  O4  1  0.403  0.104  0.430  1.0
  O  O5  1  0.369  0.091  0.991  1.0
  O  O6  1  0.827  0.490  0.118  1.0
  O  O7  1  0.484  0.306  0.598  1.0
  O  O8  1  0.527  0.540  0.143  1.0
  O  O9  1  0.926  0.699  0.641  1.0
[/CIF]
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