The compound described by Bi2FeCrO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Cr(2), one Fe(2), one Bi(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Cr(1), one Fe(1), one Bi(2), and one Bi(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Cr(2), one Fe(1), one Bi(1), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Cr(1), one Fe(2), one Bi(2), and one Bi(3) atom. is represented by the CIF card [CIF]
data_CrFe(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.612
_cell_length_b   5.612
_cell_length_c   5.670
_cell_angle_alpha   90.002
_cell_angle_beta   60.341
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   126.923
_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
  Bi  Bi0  1  0.016  0.492  0.476  1.0
  Bi  Bi1  1  0.010  0.995  0.984  1.0
  Cr  Cr2  1  0.451  0.775  0.324  1.0
  Fe  Fe3  1  0.460  0.270  0.810  1.0
  O  O4  1  0.494  0.053  0.109  1.0
  O  O5  1  0.944  0.453  0.109  1.0
  O  O6  1  0.344  0.603  0.109  1.0
  O  O7  1  0.493  0.954  0.606  1.0
  O  O8  1  0.348  0.553  0.606  1.0
  O  O9  1  0.948  0.099  0.606  1.0
[/CIF]
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The compound described by Bi2FeCrO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form CrO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CrO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Cr(2), one Fe(2), one Bi(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Cr(1), one Fe(1), one Bi(2), and one Bi(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Cr(2), one Fe(1), one Bi(1), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Cr(1), one Fe(2), one Bi(2), and one Bi(3) atom. is represented by the CIF card [CIF]
data_CrFe(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.612
_cell_length_b   5.612
_cell_length_c   5.670
_cell_angle_alpha   90.002
_cell_angle_beta   60.341
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   126.923
_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
  Bi  Bi0  1  0.016  0.492  0.476  1.0
  Bi  Bi1  1  0.010  0.995  0.984  1.0
  Cr  Cr2  1  0.451  0.775  0.324  1.0
  Fe  Fe3  1  0.460  0.270  0.810  1.0
  O  O4  1  0.494  0.053  0.109  1.0
  O  O5  1  0.944  0.453  0.109  1.0
  O  O6  1  0.344  0.603  0.109  1.0
  O  O7  1  0.493  0.954  0.606  1.0
  O  O8  1  0.348  0.553  0.606  1.0
  O  O9  1  0.948  0.099  0.606  1.0
[/CIF]
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