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.
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°. All Cr(1)-O(2) bond lengths are 2.02 Å. All Cr(1)-O(4) bond lengths are 2.06 Å. 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°. All Cr(2)-O(1) bond lengths are 2.02 Å. All Cr(2)-O(3) bond lengths are 2.05 Å. 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°. All Fe(1)-O(2) bond lengths are 2.12 Å. All Fe(1)-O(3) bond lengths are 2.00 Å. 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°. All Fe(2)-O(1) bond lengths are 2.11 Å. All Fe(2)-O(4) bond lengths are 2.00 Å. 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. All Bi(1)-O(1) bond lengths are 2.34 Å. All Bi(1)-O(3) bond lengths are 2.47 Å. 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. All Bi(2)-O(2) bond lengths are 2.33 Å. All Bi(2)-O(4) bond lengths are 2.48 Å. 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. All Bi(3)-O(1) bond lengths are 2.46 Å. All Bi(3)-O(4) bond lengths are 2.37 Å. 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. All Bi(4)-O(2) bond lengths are 2.45 Å. All Bi(4)-O(3) bond lengths are 2.37 Å. 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.