LaFeBiO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-37°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one La(1), one Fe(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Fe(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Fe(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Fe(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one Fe(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one La(1), one Fe(1), and one Bi(1) atom.
LaFeBiO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The La(1)-O(1) bond length is 2.43 Å. The La(1)-O(4) bond length is 2.40 Å. The La(1)-O(5) bond length is 2.47 Å. The La(1)-O(6) bond length is 2.43 Å. There is one shorter (2.62 Å) and one longer (2.74 Å) La(1)-O(2) bond length. There is one shorter (2.59 Å) and one longer (2.73 Å) La(1)-O(3) bond length. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-37°. The Fe(1)-O(1) bond length is 1.97 Å. The Fe(1)-O(2) bond length is 2.22 Å. The Fe(1)-O(3) bond length is 2.14 Å. The Fe(1)-O(4) bond length is 1.99 Å. The Fe(1)-O(5) bond length is 1.96 Å. The Fe(1)-O(6) bond length is 1.97 Å. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-37°. The Bi(1)-O(1) bond length is 2.14 Å. The Bi(1)-O(2) bond length is 2.18 Å. The Bi(1)-O(3) bond length is 2.25 Å. The Bi(1)-O(4) bond length is 2.15 Å. The Bi(1)-O(5) bond length is 2.11 Å. The Bi(1)-O(6) bond length is 2.10 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one La(1), one Fe(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Fe(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Fe(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Fe(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one Fe(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one La(1), one Fe(1), and one Bi(1) atom.