BiCrO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OCr2Bi2 trigonal pyramids.
BiCrO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Both Cr(1)-O(1) bond lengths are 2.00 Å. Both Cr(1)-O(2) bond lengths are 2.05 Å. Both Cr(1)-O(3) bond lengths are 2.04 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. Both Cr(2)-O(1) bond lengths are 2.03 Å. Both Cr(2)-O(2) bond lengths are 2.03 Å. Both Cr(2)-O(3) bond lengths are 2.04 Å. Bi(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Bi(1)-O(2) bond length is 2.27 Å. There is one shorter (2.28 Å) and one longer (2.67 Å) Bi(1)-O(1) bond length. There is one shorter (2.35 Å) and one longer (2.44 Å) Bi(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(2), and one Bi(1) atom. In the third O site, O(3) is bonded to one Cr(1), one Cr(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OCr2Bi2 trigonal pyramids.