Li3La7(FeO8)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Li site, Li(2) is bonded in a single-bond geometry to one O(7) atom. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(7), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(7), one O(9), and two equivalent O(5) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(10), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(8), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Fe site, Fe(2) is bonded to one O(7), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(5), two equivalent La(3), and one Fe(1) atom to form distorted OLa4Fe square pyramids that share  a cornercorner with one O(10)La5Fe octahedra,  a cornercorner with one O(7)LiLa4Fe octahedra, corners with four equivalent O(9)LiLa4Fe octahedra, corners with two equivalent O(4)LiLa4 square pyramids, corners with three equivalent O(8)La4Fe square pyramids,  an edgeedge with one O(10)La5Fe octahedra, edges with two equivalent O(5)LiLa5 octahedra, edges with two equivalent O(4)LiLa4 square pyramids, and faces with two equivalent O(3)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 5-98°. In the second O site, O(2) is bonded in a distorted linear geometry to one Li(1), one La(1), one La(2), one La(3), and one Fe(1) atom. In the third O site, O(3) is bonded to one Li(1), one La(2), one La(3), one La(4), one La(5), and one Fe(1) atom to form distorted OLiLa4Fe octahedra that share  a cornercorner with one O(10)La5Fe octahedra, corners with two equivalent O(7)LiLa4Fe octahedra, corners with three equivalent O(5)LiLa5 octahedra, corners with three equivalent O(8)La4Fe square pyramids, corners with three equivalent O(4)LiLa4 square pyramids, edges with two equivalent O(9)LiLa4Fe octahedra,  a faceface with one O(10)La5Fe octahedra,  a faceface with one O(3)LiLa4Fe octahedra,  a faceface with one O(9)LiLa4Fe octahedra,  a faceface with one O(5)LiLa5 octahedra,  a faceface with one O(1)La4Fe square pyramid, and  a faceface with one O(4)LiLa4 square pyramid. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth O site, O(4) is bonded to one Li(1), one La(2), one La(5), and two equivalent La(3) atoms to form distorted OLiLa4 square pyramids that share  a cornercorner with one O(7)LiLa4Fe octahedra,  a cornercorner with one O(5)LiLa5 octahedra, corners with three equivalent O(3)LiLa4Fe octahedra, corners with three equivalent O(9)LiLa4Fe octahedra,  a cornercorner with one O(1)La4Fe square pyramid,  a cornercorner with one O(8)La4Fe square pyramid, corners with three equivalent O(4)LiLa4 square pyramids,  an edgeedge with one O(10)La5Fe octahedra, edges with two equivalent O(5)LiLa5 octahedra,  an edgeedge with one O(1)La4Fe square pyramid,  an edgeedge with one O(8)La4Fe square pyramid,  a faceface with one O(3)LiLa4Fe octahedra, and  a faceface with one O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 7-94°. In the fifth O site, O(5) is bonded to one Li(1), one La(1), one La(3), one La(4), and two equivalent La(2) atoms to form distorted OLiLa5 octahedra that share corners with three equivalent O(3)LiLa4Fe octahedra, corners with three equivalent O(9)LiLa4Fe octahedra, corners with four equivalent O(5)LiLa5 octahedra,  a cornercorner with one O(4)LiLa4 square pyramid, edges with two equivalent O(10)La5Fe octahedra, edges with two equivalent O(7)LiLa4Fe octahedra,  an edgeedge with one O(1)La4Fe square pyramid,  an edgeedge with one O(8)La4Fe square pyramid, edges with two equivalent O(4)LiLa4 square pyramids,  a faceface with one O(3)LiLa4Fe octahedra, and  a faceface with one O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Li(1), one La(1), one La(2), one La(3), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Li(2), one La(1), one La(4), two equivalent La(2), and one Fe(2) atom to form distorted OLiLa4Fe octahedra that share corners with four equivalent O(10)La5Fe octahedra, corners with four equivalent O(3)LiLa4Fe octahedra,  a cornercorner with one O(1)La4Fe square pyramid, corners with two equivalent O(8)La4Fe square pyramids, corners with two equivalent O(4)LiLa4 square pyramids, edges with four equivalent O(5)LiLa5 octahedra, and faces with two equivalent O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 17-50°. In the eighth O site, O(8) is bonded to one La(4), one La(5), two equivalent La(3), and one Fe(2) atom to form distorted OLa4Fe square pyramids that share corners with two equivalent O(7)LiLa4Fe octahedra, corners with two equivalent O(9)LiLa4Fe octahedra, corners with six equivalent O(3)LiLa4Fe octahedra, corners with two equivalent O(4)LiLa4 square pyramids, corners with three equivalent O(1)La4Fe square pyramids,  an edgeedge with one O(10)La5Fe octahedra, edges with two equivalent O(5)LiLa5 octahedra, edges with two equivalent O(4)LiLa4 square pyramids, and faces with two equivalent O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 5-96°. In the ninth O site, O(9) is bonded to one Li(1), one La(2), one La(3), one La(4), one La(5), and one Fe(2) atom to form distorted OLiLa4Fe octahedra that share corners with three equivalent O(10)La5Fe octahedra, corners with three equivalent O(5)LiLa5 octahedra,  a cornercorner with one O(8)La4Fe square pyramid, corners with two equivalent O(1)La4Fe square pyramids, corners with three equivalent O(4)LiLa4 square pyramids, edges with two equivalent O(3)LiLa4Fe octahedra,  a faceface with one O(3)LiLa4Fe octahedra,  a faceface with one O(7)LiLa4Fe octahedra,  a faceface with one O(9)LiLa4Fe octahedra,  a faceface with one O(5)LiLa5 octahedra,  a faceface with one O(8)La4Fe square pyramid, and  a faceface with one O(4)LiLa4 square pyramid. The corner-sharing octahedral tilt angles range from 46-52°. In the tenth O site, O(10) is bonded to one La(1), one La(4), one La(5), two equivalent La(2), and one Fe(1) atom to form distorted OLa5Fe octahedra that share corners with two equivalent O(3)LiLa4Fe octahedra, corners with four equivalent O(7)LiLa4Fe octahedra, corners with six equivalent O(9)LiLa4Fe octahedra,  a cornercorner with one O(1)La4Fe square pyramid, edges with four equivalent O(5)LiLa5 octahedra,  an edgeedge with one O(1)La4Fe square pyramid,  an edgeedge with one O(8)La4Fe square pyramid, edges with two equivalent O(4)LiLa4 square pyramids, and faces with two equivalent O(3)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 17-52°.
Li3La7(FeO8)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 1.98 Å. The Li(1)-O(4) bond length is 2.17 Å. The Li(1)-O(5) bond length is 2.43 Å. The Li(1)-O(6) bond length is 1.94 Å. The Li(1)-O(9) bond length is 1.99 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one O(7) atom. The Li(2)-O(7) bond length is 2.24 Å. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(7), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. The La(1)-O(1) bond length is 2.44 Å. The La(1)-O(10) bond length is 2.74 Å. The La(1)-O(7) bond length is 2.73 Å. Both La(1)-O(2) bond lengths are 2.56 Å. Both La(1)-O(5) bond lengths are 2.77 Å. Both La(1)-O(6) bond lengths are 2.55 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(7), one O(9), and two equivalent O(5) atoms. The La(2)-O(10) bond length is 2.74 Å. The La(2)-O(2) bond length is 2.62 Å. The La(2)-O(3) bond length is 2.63 Å. The La(2)-O(4) bond length is 2.29 Å. The La(2)-O(6) bond length is 2.61 Å. The La(2)-O(7) bond length is 2.71 Å. The La(2)-O(9) bond length is 2.61 Å. Both La(2)-O(5) bond lengths are 2.72 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(4) atoms. The La(3)-O(1) bond length is 2.73 Å. The La(3)-O(2) bond length is 2.61 Å. The La(3)-O(3) bond length is 2.63 Å. The La(3)-O(5) bond length is 2.30 Å. The La(3)-O(6) bond length is 2.62 Å. The La(3)-O(8) bond length is 2.74 Å. The La(3)-O(9) bond length is 2.63 Å. There is one shorter (2.73 Å) and one longer (2.74 Å) La(3)-O(4) bond length. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(10), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. The La(4)-O(10) bond length is 2.74 Å. The La(4)-O(7) bond length is 2.68 Å. The La(4)-O(8) bond length is 2.37 Å. Both La(4)-O(3) bond lengths are 2.61 Å. Both La(4)-O(5) bond lengths are 2.73 Å. Both La(4)-O(9) bond lengths are 2.58 Å. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(8), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. The La(5)-O(1) bond length is 2.57 Å. The La(5)-O(10) bond length is 2.38 Å. The La(5)-O(8) bond length is 2.58 Å. Both La(5)-O(3) bond lengths are 2.65 Å. Both La(5)-O(4) bond lengths are 2.53 Å. Both La(5)-O(9) bond lengths are 2.65 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Fe(1)-O(1) bond length is 2.22 Å. The Fe(1)-O(10) bond length is 2.23 Å. Both Fe(1)-O(2) bond lengths are 1.83 Å. Both Fe(1)-O(3) bond lengths are 1.86 Å. In the second Fe site, Fe(2) is bonded to one O(7), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. The Fe(2)-O(7) bond length is 2.30 Å. The Fe(2)-O(8) bond length is 2.19 Å. Both Fe(2)-O(6) bond lengths are 1.83 Å. Both Fe(2)-O(9) bond lengths are 1.86 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(5), two equivalent La(3), and one Fe(1) atom to form distorted OLa4Fe square pyramids that share  a cornercorner with one O(10)La5Fe octahedra,  a cornercorner with one O(7)LiLa4Fe octahedra, corners with four equivalent O(9)LiLa4Fe octahedra, corners with two equivalent O(4)LiLa4 square pyramids, corners with three equivalent O(8)La4Fe square pyramids,  an edgeedge with one O(10)La5Fe octahedra, edges with two equivalent O(5)LiLa5 octahedra, edges with two equivalent O(4)LiLa4 square pyramids, and faces with two equivalent O(3)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 5-98°. In the second O site, O(2) is bonded in a distorted linear geometry to one Li(1), one La(1), one La(2), one La(3), and one Fe(1) atom. In the third O site, O(3) is bonded to one Li(1), one La(2), one La(3), one La(4), one La(5), and one Fe(1) atom to form distorted OLiLa4Fe octahedra that share  a cornercorner with one O(10)La5Fe octahedra, corners with two equivalent O(7)LiLa4Fe octahedra, corners with three equivalent O(5)LiLa5 octahedra, corners with three equivalent O(8)La4Fe square pyramids, corners with three equivalent O(4)LiLa4 square pyramids, edges with two equivalent O(9)LiLa4Fe octahedra,  a faceface with one O(10)La5Fe octahedra,  a faceface with one O(3)LiLa4Fe octahedra,  a faceface with one O(9)LiLa4Fe octahedra,  a faceface with one O(5)LiLa5 octahedra,  a faceface with one O(1)La4Fe square pyramid, and  a faceface with one O(4)LiLa4 square pyramid. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth O site, O(4) is bonded to one Li(1), one La(2), one La(5), and two equivalent La(3) atoms to form distorted OLiLa4 square pyramids that share  a cornercorner with one O(7)LiLa4Fe octahedra,  a cornercorner with one O(5)LiLa5 octahedra, corners with three equivalent O(3)LiLa4Fe octahedra, corners with three equivalent O(9)LiLa4Fe octahedra,  a cornercorner with one O(1)La4Fe square pyramid,  a cornercorner with one O(8)La4Fe square pyramid, corners with three equivalent O(4)LiLa4 square pyramids,  an edgeedge with one O(10)La5Fe octahedra, edges with two equivalent O(5)LiLa5 octahedra,  an edgeedge with one O(1)La4Fe square pyramid,  an edgeedge with one O(8)La4Fe square pyramid,  a faceface with one O(3)LiLa4Fe octahedra, and  a faceface with one O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 7-94°. In the fifth O site, O(5) is bonded to one Li(1), one La(1), one La(3), one La(4), and two equivalent La(2) atoms to form distorted OLiLa5 octahedra that share corners with three equivalent O(3)LiLa4Fe octahedra, corners with three equivalent O(9)LiLa4Fe octahedra, corners with four equivalent O(5)LiLa5 octahedra,  a cornercorner with one O(4)LiLa4 square pyramid, edges with two equivalent O(10)La5Fe octahedra, edges with two equivalent O(7)LiLa4Fe octahedra,  an edgeedge with one O(1)La4Fe square pyramid,  an edgeedge with one O(8)La4Fe square pyramid, edges with two equivalent O(4)LiLa4 square pyramids,  a faceface with one O(3)LiLa4Fe octahedra, and  a faceface with one O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Li(1), one La(1), one La(2), one La(3), and one Fe(2) atom. In the seventh O site, O(7) is bonded to one Li(2), one La(1), one La(4), two equivalent La(2), and one Fe(2) atom to form distorted OLiLa4Fe octahedra that share corners with four equivalent O(10)La5Fe octahedra, corners with four equivalent O(3)LiLa4Fe octahedra,  a cornercorner with one O(1)La4Fe square pyramid, corners with two equivalent O(8)La4Fe square pyramids, corners with two equivalent O(4)LiLa4 square pyramids, edges with four equivalent O(5)LiLa5 octahedra, and faces with two equivalent O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 17-50°. In the eighth O site, O(8) is bonded to one La(4), one La(5), two equivalent La(3), and one Fe(2) atom to form distorted OLa4Fe square pyramids that share corners with two equivalent O(7)LiLa4Fe octahedra, corners with two equivalent O(9)LiLa4Fe octahedra, corners with six equivalent O(3)LiLa4Fe octahedra, corners with two equivalent O(4)LiLa4 square pyramids, corners with three equivalent O(1)La4Fe square pyramids,  an edgeedge with one O(10)La5Fe octahedra, edges with two equivalent O(5)LiLa5 octahedra, edges with two equivalent O(4)LiLa4 square pyramids, and faces with two equivalent O(9)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 5-96°. In the ninth O site, O(9) is bonded to one Li(1), one La(2), one La(3), one La(4), one La(5), and one Fe(2) atom to form distorted OLiLa4Fe octahedra that share corners with three equivalent O(10)La5Fe octahedra, corners with three equivalent O(5)LiLa5 octahedra,  a cornercorner with one O(8)La4Fe square pyramid, corners with two equivalent O(1)La4Fe square pyramids, corners with three equivalent O(4)LiLa4 square pyramids, edges with two equivalent O(3)LiLa4Fe octahedra,  a faceface with one O(3)LiLa4Fe octahedra,  a faceface with one O(7)LiLa4Fe octahedra,  a faceface with one O(9)LiLa4Fe octahedra,  a faceface with one O(5)LiLa5 octahedra,  a faceface with one O(8)La4Fe square pyramid, and  a faceface with one O(4)LiLa4 square pyramid. The corner-sharing octahedral tilt angles range from 46-52°. In the tenth O site, O(10) is bonded to one La(1), one La(4), one La(5), two equivalent La(2), and one Fe(1) atom to form distorted OLa5Fe octahedra that share corners with two equivalent O(3)LiLa4Fe octahedra, corners with four equivalent O(7)LiLa4Fe octahedra, corners with six equivalent O(9)LiLa4Fe octahedra,  a cornercorner with one O(1)La4Fe square pyramid, edges with four equivalent O(5)LiLa5 octahedra,  an edgeedge with one O(1)La4Fe square pyramid,  an edgeedge with one O(8)La4Fe square pyramid, edges with two equivalent O(4)LiLa4 square pyramids, and faces with two equivalent O(3)LiLa4Fe octahedra. The corner-sharing octahedral tilt angles range from 17-52°.