FeAlO3 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 51-56°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 51-55°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 53-57°. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 54-57°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form distorted AlO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-82°. In the second Al site, Al(2) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form distorted AlO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-83°. In the third Al site, Al(3) is bonded to one O(10), one O(12), one O(4), and one O(5) atom to form distorted AlO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-83°. In the fourth Al site, Al(4) is bonded to one O(11), one O(3), one O(6), and one O(9) atom to form distorted AlO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 60-82°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(4), one Al(2), and one Al(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Al(1), and one Al(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Al(2), and one Al(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(4), one Al(1), and one Al(3) atom.
FeAlO3 crystallizes in the triclinic P1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(4)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 51-56°. The Fe(1)-O(1) bond length is 1.98 Å. The Fe(1)-O(12) bond length is 2.34 Å. The Fe(1)-O(2) bond length is 1.92 Å. The Fe(1)-O(5) bond length is 1.98 Å. The Fe(1)-O(6) bond length is 1.92 Å. The Fe(1)-O(9) bond length is 2.34 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 51-55°. The Fe(2)-O(1) bond length is 1.98 Å. The Fe(2)-O(10) bond length is 2.21 Å. The Fe(2)-O(11) bond length is 2.20 Å. The Fe(2)-O(2) bond length is 2.01 Å. The Fe(2)-O(5) bond length is 1.98 Å. The Fe(2)-O(6) bond length is 2.01 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 53-57°. The Fe(3)-O(10) bond length is 2.23 Å. The Fe(3)-O(11) bond length is 2.23 Å. The Fe(3)-O(3) bond length is 2.03 Å. The Fe(3)-O(4) bond length is 1.95 Å. The Fe(3)-O(7) bond length is 2.03 Å. The Fe(3)-O(8) bond length is 1.94 Å. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 trigonal pyramids, corners with two equivalent Al(3)O4 trigonal pyramids, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 54-57°. The Fe(4)-O(12) bond length is 2.15 Å. The Fe(4)-O(3) bond length is 1.99 Å. The Fe(4)-O(4) bond length is 1.99 Å. The Fe(4)-O(7) bond length is 2.00 Å. The Fe(4)-O(8) bond length is 1.99 Å. The Fe(4)-O(9) bond length is 2.16 Å. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(12), one O(2), and one O(7) atom to form distorted AlO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-82°. The Al(1)-O(10) bond length is 1.85 Å. The Al(1)-O(12) bond length is 1.85 Å. The Al(1)-O(2) bond length is 1.82 Å. The Al(1)-O(7) bond length is 1.80 Å. In the second Al site, Al(2) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form distorted AlO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 61-83°. The Al(2)-O(1) bond length is 1.82 Å. The Al(2)-O(11) bond length is 1.87 Å. The Al(2)-O(8) bond length is 1.81 Å. The Al(2)-O(9) bond length is 1.84 Å. In the third Al site, Al(3) is bonded to one O(10), one O(12), one O(4), and one O(5) atom to form distorted AlO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-83°. The Al(3)-O(10) bond length is 1.87 Å. The Al(3)-O(12) bond length is 1.84 Å. The Al(3)-O(4) bond length is 1.81 Å. The Al(3)-O(5) bond length is 1.82 Å. In the fourth Al site, Al(4) is bonded to one O(11), one O(3), one O(6), and one O(9) atom to form distorted AlO4 trigonal pyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Al(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 60-82°. The Al(4)-O(11) bond length is 1.85 Å. The Al(4)-O(3) bond length is 1.80 Å. The Al(4)-O(6) bond length is 1.82 Å. The Al(4)-O(9) bond length is 1.85 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Al(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one Al(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(4), one Al(2), and one Al(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Al(1), and one Al(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Al(2), and one Al(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(4), one Al(1), and one Al(3) atom.