Li(Fe2O3)4 crystallizes in the monoclinic P2 space group. Li(1) is bonded in a trigonal planar geometry to one O(5) and two equivalent O(3) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form a mixture of face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form a mixture of distorted face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 38-65°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(6), one O(8), and two equivalent O(4) atoms to form a mixture of distorted face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), and two equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share  a cornercorner with one O(3)LiFe3 tetrahedra, corners with three equivalent O(2)Fe5 trigonal bipyramids,  a cornercorner with one O(7)Fe4 trigonal pyramid,  a cornercorner with one O(8)Fe4 trigonal pyramid, corners with two equivalent O(4)Fe4 trigonal pyramids,  an edgeedge with one O(3)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe5 trigonal bipyramid,  an edgeedge with one O(1)Fe4 trigonal pyramid, and  an edgeedge with one O(7)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Fe(1), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(3)LiFe3 tetrahedra,  a cornercorner with one O(4)Fe4 trigonal pyramid, corners with three equivalent O(1)Fe4 trigonal pyramids, corners with three equivalent O(8)Fe4 trigonal pyramids,  an edgeedge with one O(3)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe5 trigonal bipyramid,  an edgeedge with one O(1)Fe4 trigonal pyramid,  an edgeedge with one O(7)Fe4 trigonal pyramid, and edges with two equivalent O(4)Fe4 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom to form distorted OLiFe3 tetrahedra that share  a cornercorner with one O(3)LiFe3 tetrahedra,  a cornercorner with one O(2)Fe5 trigonal bipyramid,  a cornercorner with one O(1)Fe4 trigonal pyramid,  a cornercorner with one O(8)Fe4 trigonal pyramid, corners with two equivalent O(7)Fe4 trigonal pyramids, corners with three equivalent O(4)Fe4 trigonal pyramids,  an edgeedge with one O(2)Fe5 trigonal bipyramid, and  an edgeedge with one O(1)Fe4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(3), and two equivalent Fe(4) atoms to form OFe4 trigonal pyramids that share corners with three equivalent O(3)LiFe3 tetrahedra,  a cornercorner with one O(2)Fe5 trigonal bipyramid,  a cornercorner with one O(7)Fe4 trigonal pyramid,  a cornercorner with one O(8)Fe4 trigonal pyramid, corners with two equivalent O(1)Fe4 trigonal pyramids, edges with two equivalent O(2)Fe5 trigonal bipyramids,  an edgeedge with one O(4)Fe4 trigonal pyramid, and  an edgeedge with one O(8)Fe4 trigonal pyramid. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the seventh O site, O(7) is bonded to two equivalent Fe(1) and two equivalent Fe(3) atoms to form distorted OFe4 trigonal pyramids that share corners with four equivalent O(3)LiFe3 tetrahedra, corners with two equivalent O(1)Fe4 trigonal pyramids, corners with two equivalent O(4)Fe4 trigonal pyramids, edges with two equivalent O(2)Fe5 trigonal bipyramids, and edges with two equivalent O(1)Fe4 trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Fe(2) and two equivalent Fe(4) atoms to form distorted OFe4 trigonal pyramids that share corners with two equivalent O(3)LiFe3 tetrahedra, corners with six equivalent O(2)Fe5 trigonal bipyramids, corners with two equivalent O(1)Fe4 trigonal pyramids, corners with two equivalent O(4)Fe4 trigonal pyramids, and edges with two equivalent O(4)Fe4 trigonal pyramids.
Li(Fe2O3)4 crystallizes in the monoclinic P2 space group. Li(1) is bonded in a trigonal planar geometry to one O(5) and two equivalent O(3) atoms. The Li(1)-O(5) bond length is 1.84 Å. Both Li(1)-O(3) bond lengths are 1.87 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. The Fe(1)-O(2) bond length is 2.14 Å. The Fe(1)-O(3) bond length is 1.99 Å. The Fe(1)-O(5) bond length is 1.86 Å. The Fe(1)-O(7) bond length is 2.15 Å. There is one shorter (2.13 Å) and one longer (2.17 Å) Fe(1)-O(1) bond length. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form a mixture of face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. The Fe(2)-O(1) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 2.08 Å. The Fe(2)-O(6) bond length is 2.18 Å. The Fe(2)-O(8) bond length is 2.08 Å. There is one shorter (2.19 Å) and one longer (2.21 Å) Fe(2)-O(2) bond length. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form a mixture of distorted face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 38-65°. The Fe(3)-O(1) bond length is 1.95 Å. The Fe(3)-O(2) bond length is 2.19 Å. The Fe(3)-O(3) bond length is 2.05 Å. The Fe(3)-O(4) bond length is 2.00 Å. The Fe(3)-O(6) bond length is 2.36 Å. The Fe(3)-O(7) bond length is 1.97 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(6), one O(8), and two equivalent O(4) atoms to form a mixture of distorted face, corner, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. The Fe(4)-O(2) bond length is 2.11 Å. The Fe(4)-O(3) bond length is 1.91 Å. The Fe(4)-O(6) bond length is 2.23 Å. The Fe(4)-O(8) bond length is 2.07 Å. There is one shorter (2.05 Å) and one longer (2.07 Å) Fe(4)-O(4) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), and two equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share  a cornercorner with one O(3)LiFe3 tetrahedra, corners with three equivalent O(2)Fe5 trigonal bipyramids,  a cornercorner with one O(7)Fe4 trigonal pyramid,  a cornercorner with one O(8)Fe4 trigonal pyramid, corners with two equivalent O(4)Fe4 trigonal pyramids,  an edgeedge with one O(3)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe5 trigonal bipyramid,  an edgeedge with one O(1)Fe4 trigonal pyramid, and  an edgeedge with one O(7)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Fe(1), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(3)LiFe3 tetrahedra,  a cornercorner with one O(4)Fe4 trigonal pyramid, corners with three equivalent O(1)Fe4 trigonal pyramids, corners with three equivalent O(8)Fe4 trigonal pyramids,  an edgeedge with one O(3)LiFe3 tetrahedra,  an edgeedge with one O(2)Fe5 trigonal bipyramid,  an edgeedge with one O(1)Fe4 trigonal pyramid,  an edgeedge with one O(7)Fe4 trigonal pyramid, and edges with two equivalent O(4)Fe4 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom to form distorted OLiFe3 tetrahedra that share  a cornercorner with one O(3)LiFe3 tetrahedra,  a cornercorner with one O(2)Fe5 trigonal bipyramid,  a cornercorner with one O(1)Fe4 trigonal pyramid,  a cornercorner with one O(8)Fe4 trigonal pyramid, corners with two equivalent O(7)Fe4 trigonal pyramids, corners with three equivalent O(4)Fe4 trigonal pyramids,  an edgeedge with one O(2)Fe5 trigonal bipyramid, and  an edgeedge with one O(1)Fe4 trigonal pyramid. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(3), and two equivalent Fe(4) atoms to form OFe4 trigonal pyramids that share corners with three equivalent O(3)LiFe3 tetrahedra,  a cornercorner with one O(2)Fe5 trigonal bipyramid,  a cornercorner with one O(7)Fe4 trigonal pyramid,  a cornercorner with one O(8)Fe4 trigonal pyramid, corners with two equivalent O(1)Fe4 trigonal pyramids, edges with two equivalent O(2)Fe5 trigonal bipyramids,  an edgeedge with one O(4)Fe4 trigonal pyramid, and  an edgeedge with one O(8)Fe4 trigonal pyramid. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms. In the seventh O site, O(7) is bonded to two equivalent Fe(1) and two equivalent Fe(3) atoms to form distorted OFe4 trigonal pyramids that share corners with four equivalent O(3)LiFe3 tetrahedra, corners with two equivalent O(1)Fe4 trigonal pyramids, corners with two equivalent O(4)Fe4 trigonal pyramids, edges with two equivalent O(2)Fe5 trigonal bipyramids, and edges with two equivalent O(1)Fe4 trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Fe(2) and two equivalent Fe(4) atoms to form distorted OFe4 trigonal pyramids that share corners with two equivalent O(3)LiFe3 tetrahedra, corners with six equivalent O(2)Fe5 trigonal bipyramids, corners with two equivalent O(1)Fe4 trigonal pyramids, corners with two equivalent O(4)Fe4 trigonal pyramids, and edges with two equivalent O(4)Fe4 trigonal pyramids.