LiTb4Al2(FeO6)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(12), one O(2), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-73°. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(8) atom. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Tb site, Tb(4) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 38-40°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with four equivalent Al(1)O6 octahedra and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-37°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form AlO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-40°. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Tb(1), one Tb(2), one Fe(2), and one Al(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Tb(1), one Tb(2), one Fe(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Tb(3), one Tb(4), one Fe(2), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Tb(3), one Tb(4), one Fe(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(4), one Fe(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(3), one Fe(2), and one Al(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Tb(3), one Tb(4), one Fe(2), and one Al(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(3), one Tb(4), one Fe(1), and one Al(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(1), one Tb(2), one Tb(3), one Tb(4), one Fe(1), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(3), one Tb(4), one Fe(2), and one Al(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(4), one Fe(2), and one Al(1) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Li(1), one Tb(1), one Tb(2), one Tb(3), one Fe(1), and one Al(2) atom.
LiTb4Al2(FeO6)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(12), one O(2), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-73°. The Li(1)-O(1) bond length is 1.82 Å. The Li(1)-O(12) bond length is 1.81 Å. The Li(1)-O(2) bond length is 1.86 Å. The Li(1)-O(9) bond length is 1.83 Å. There are four inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(8) atom. The Tb(1)-O(1) bond length is 2.27 Å. The Tb(1)-O(10) bond length is 2.56 Å. The Tb(1)-O(11) bond length is 2.31 Å. The Tb(1)-O(12) bond length is 2.41 Å. The Tb(1)-O(2) bond length is 2.39 Å. The Tb(1)-O(5) bond length is 2.43 Å. The Tb(1)-O(6) bond length is 2.33 Å. The Tb(1)-O(8) bond length is 2.79 Å. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), and one O(9) atom. The Tb(2)-O(1) bond length is 2.40 Å. The Tb(2)-O(11) bond length is 2.29 Å. The Tb(2)-O(12) bond length is 2.39 Å. The Tb(2)-O(2) bond length is 2.44 Å. The Tb(2)-O(5) bond length is 2.27 Å. The Tb(2)-O(6) bond length is 2.40 Å. The Tb(2)-O(9) bond length is 2.64 Å. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The Tb(3)-O(10) bond length is 2.36 Å. The Tb(3)-O(12) bond length is 2.61 Å. The Tb(3)-O(3) bond length is 2.35 Å. The Tb(3)-O(4) bond length is 2.26 Å. The Tb(3)-O(6) bond length is 2.68 Å. The Tb(3)-O(7) bond length is 2.52 Å. The Tb(3)-O(8) bond length is 2.29 Å. The Tb(3)-O(9) bond length is 2.59 Å. In the fourth Tb site, Tb(4) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. The Tb(4)-O(10) bond length is 2.48 Å. The Tb(4)-O(11) bond length is 2.72 Å. The Tb(4)-O(3) bond length is 2.25 Å. The Tb(4)-O(4) bond length is 2.33 Å. The Tb(4)-O(5) bond length is 2.62 Å. The Tb(4)-O(7) bond length is 2.36 Å. The Tb(4)-O(8) bond length is 2.48 Å. The Tb(4)-O(9) bond length is 2.35 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Al(1)O6 octahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 38-40°. The Fe(1)-O(12) bond length is 2.12 Å. The Fe(1)-O(2) bond length is 2.16 Å. The Fe(1)-O(4) bond length is 2.10 Å. The Fe(1)-O(5) bond length is 2.18 Å. The Fe(1)-O(8) bond length is 2.13 Å. The Fe(1)-O(9) bond length is 2.27 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with four equivalent Al(1)O6 octahedra and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-37°. The Fe(2)-O(1) bond length is 2.05 Å. The Fe(2)-O(10) bond length is 2.14 Å. The Fe(2)-O(11) bond length is 2.10 Å. The Fe(2)-O(3) bond length is 2.00 Å. The Fe(2)-O(6) bond length is 2.16 Å. The Fe(2)-O(7) bond length is 1.98 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form AlO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-40°. The Al(1)-O(10) bond length is 1.99 Å. The Al(1)-O(11) bond length is 2.13 Å. The Al(1)-O(2) bond length is 1.90 Å. The Al(1)-O(4) bond length is 1.88 Å. The Al(1)-O(6) bond length is 2.02 Å. The Al(1)-O(7) bond length is 1.95 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom. The Al(2)-O(1) bond length is 2.12 Å. The Al(2)-O(12) bond length is 2.35 Å. The Al(2)-O(3) bond length is 1.85 Å. The Al(2)-O(5) bond length is 1.84 Å. The Al(2)-O(8) bond length is 1.83 Å. The Al(2)-O(9) bond length is 1.89 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Tb(1), one Tb(2), one Fe(2), and one Al(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Tb(1), one Tb(2), one Fe(1), and one Al(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Tb(3), one Tb(4), one Fe(2), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Tb(3), one Tb(4), one Fe(1), and one Al(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(4), one Fe(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(3), one Fe(2), and one Al(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Tb(3), one Tb(4), one Fe(2), and one Al(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(3), one Tb(4), one Fe(1), and one Al(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(1), one Tb(2), one Tb(3), one Tb(4), one Fe(1), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(3), one Tb(4), one Fe(2), and one Al(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Tb(1), one Tb(2), one Tb(4), one Fe(2), and one Al(1) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Li(1), one Tb(1), one Tb(2), one Tb(3), one Fe(1), and one Al(2) atom.