Li5Fe2Cu3O10 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Fe(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), one Cu(1), and one Cu(2) atom to form distorted OLi2FeCu2 square pyramids that share corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent O(5)Li4FeCu octahedra,  a cornercorner with one O(2)Li2FeCu2 square pyramid,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4FeCu octahedra, edges with three equivalent O(4)Li3FeCu2 octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 4-90°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Fe(1) atoms to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4FeCu octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(4)Li3FeCu2 octahedra, edges with four equivalent O(5)Li4FeCu octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Cu(1), and one Cu(2) atom to form distorted OLi3FeCu2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4FeCu octahedra, corners with two equivalent O(4)Li3FeCu2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(5)Li4FeCu octahedra, and edges with three equivalent O(2)Li2FeCu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and one Cu(2) atom to form OLi4FeCu octahedra that share  a cornercorner with one O(4)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4FeCu octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(5)Li4FeCu octahedra, edges with three equivalent O(4)Li3FeCu2 octahedra, edges with four equivalent O(3)Li4Fe2 octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 0-12°.
Li5Fe2Cu3O10 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(1)-O(1) bond length is 2.15 Å. The Li(1)-O(4) bond length is 2.11 Å. There is one shorter (2.04 Å) and one longer (2.51 Å) Li(1)-O(3) bond length. There is one shorter (2.05 Å) and one longer (2.20 Å) Li(1)-O(5) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. The Li(2)-O(1) bond length is 2.13 Å. The Li(2)-O(3) bond length is 2.08 Å. The Li(2)-O(4) bond length is 2.05 Å. The Li(2)-O(5) bond length is 2.37 Å. There is one shorter (2.19 Å) and one longer (2.21 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Both Li(3)-O(3) bond lengths are 1.99 Å. Both Li(3)-O(4) bond lengths are 2.19 Å. Both Li(3)-O(5) bond lengths are 2.35 Å. Fe(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. The Fe(1)-O(1) bond length is 2.18 Å. The Fe(1)-O(2) bond length is 1.98 Å. The Fe(1)-O(4) bond length is 1.93 Å. The Fe(1)-O(5) bond length is 1.92 Å. There is one shorter (1.87 Å) and one longer (2.20 Å) Fe(1)-O(3) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Cu(1)-O(2) bond lengths are 2.03 Å. Both Cu(1)-O(4) bond lengths are 1.88 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(1) atoms. The Cu(2)-O(2) bond length is 1.95 Å. The Cu(2)-O(4) bond length is 2.54 Å. The Cu(2)-O(5) bond length is 1.89 Å. There is one shorter (1.91 Å) and one longer (1.93 Å) Cu(2)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Fe(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), one Cu(1), and one Cu(2) atom to form distorted OLi2FeCu2 square pyramids that share corners with two equivalent O(3)Li4Fe2 octahedra, corners with two equivalent O(5)Li4FeCu octahedra,  a cornercorner with one O(2)Li2FeCu2 square pyramid,  an edgeedge with one O(3)Li4Fe2 octahedra,  an edgeedge with one O(5)Li4FeCu octahedra, edges with three equivalent O(4)Li3FeCu2 octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 4-90°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Fe(1) atoms to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(4)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4FeCu octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(4)Li3FeCu2 octahedra, edges with four equivalent O(5)Li4FeCu octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Cu(1), and one Cu(2) atom to form distorted OLi3FeCu2 octahedra that share  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4FeCu octahedra, corners with two equivalent O(4)Li3FeCu2 octahedra, edges with three equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(5)Li4FeCu octahedra, and edges with three equivalent O(2)Li2FeCu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and one Cu(2) atom to form OLi4FeCu octahedra that share  a cornercorner with one O(4)Li3FeCu2 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra,  a cornercorner with one O(5)Li4FeCu octahedra, corners with two equivalent O(2)Li2FeCu2 square pyramids,  an edgeedge with one O(5)Li4FeCu octahedra, edges with three equivalent O(4)Li3FeCu2 octahedra, edges with four equivalent O(3)Li4Fe2 octahedra, and  an edgeedge with one O(2)Li2FeCu2 square pyramid. The corner-sharing octahedral tilt angles range from 0-12°.