Li3Fe4(Si3O10)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(16), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(5)O4 tetrahedra, corners with three equivalent Fe(4)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a distorted pentagonal planar geometry to one O(1), one O(10), one O(12), one O(19), and one O(3) atom. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(17), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with three equivalent Si(4)O4 tetrahedra, corners with three equivalent Fe(2)O5 trigonal bipyramids, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(16), one O(5), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(15), one O(17), one O(2), one O(6), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Si(4)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(13), one O(15), one O(19), one O(4), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with three equivalent Si(3)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(16), one O(20), one O(5), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(5)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(19), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and corners with three equivalent Fe(1)O5 trigonal bipyramids. In the third Si site, Si(3) is bonded to one O(10), one O(13), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with three equivalent Fe(3)O5 trigonal bipyramids. In the fourth Si site, Si(4) is bonded to one O(11), one O(15), one O(17), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and corners with three equivalent Fe(2)O5 trigonal bipyramids. In the fifth Si site, Si(5) is bonded to one O(14), one O(16), one O(18), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with three equivalent Fe(4)O5 trigonal bipyramids. In the sixth Si site, Si(6) is bonded to one O(11), one O(18), one O(2), and one O(20) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one Si(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(3) and one Si(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Si(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one Si(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Si(1), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Si(4) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(3), one Fe(3), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Fe(3), and one Si(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(4), and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Si(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Si(5) and one Si(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one Si(1) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(4) and one Si(6) atom.
Li3Fe4(Si3O10)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(16), one O(7), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Si(5)O4 tetrahedra, corners with three equivalent Fe(4)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. The Li(1)-O(14) bond length is 2.00 Å. The Li(1)-O(16) bond length is 2.27 Å. The Li(1)-O(7) bond length is 1.93 Å. The Li(1)-O(9) bond length is 2.07 Å. In the second Li site, Li(2) is bonded in a distorted pentagonal planar geometry to one O(1), one O(10), one O(12), one O(19), and one O(3) atom. The Li(2)-O(1) bond length is 2.09 Å. The Li(2)-O(10) bond length is 2.23 Å. The Li(2)-O(12) bond length is 2.40 Å. The Li(2)-O(19) bond length is 2.31 Å. The Li(2)-O(3) bond length is 2.26 Å. In the third Li site, Li(3) is bonded to one O(13), one O(15), one O(17), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with three equivalent Si(4)O4 tetrahedra, corners with three equivalent Fe(2)O5 trigonal bipyramids, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. The Li(3)-O(13) bond length is 1.93 Å. The Li(3)-O(15) bond length is 2.27 Å. The Li(3)-O(17) bond length is 2.06 Å. The Li(3)-O(8) bond length is 2.00 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(16), one O(5), and one O(7) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 1.98 Å. The Fe(1)-O(12) bond length is 1.90 Å. The Fe(1)-O(16) bond length is 2.22 Å. The Fe(1)-O(5) bond length is 1.95 Å. The Fe(1)-O(7) bond length is 1.92 Å. In the second Fe site, Fe(2) is bonded to one O(15), one O(17), one O(2), one O(6), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Si(4)O4 tetrahedra, and  an edgeedge with one Fe(3)O5 trigonal bipyramid. The Fe(2)-O(15) bond length is 2.00 Å. The Fe(2)-O(17) bond length is 1.95 Å. The Fe(2)-O(2) bond length is 1.90 Å. The Fe(2)-O(6) bond length is 2.11 Å. The Fe(2)-O(8) bond length is 1.94 Å. In the third Fe site, Fe(3) is bonded to one O(13), one O(15), one O(19), one O(4), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, corners with three equivalent Si(3)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The Fe(3)-O(13) bond length is 1.91 Å. The Fe(3)-O(15) bond length is 2.18 Å. The Fe(3)-O(19) bond length is 1.91 Å. The Fe(3)-O(4) bond length is 1.86 Å. The Fe(3)-O(6) bond length is 1.96 Å. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(16), one O(20), one O(5), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(5)O4 tetrahedra, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. The Fe(4)-O(14) bond length is 1.95 Å. The Fe(4)-O(16) bond length is 2.01 Å. The Fe(4)-O(20) bond length is 1.92 Å. The Fe(4)-O(5) bond length is 2.10 Å. The Fe(4)-O(9) bond length is 1.95 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(19), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(3)O5 trigonal bipyramid. The Si(1)-O(1) bond length is 1.62 Å. The Si(1)-O(10) bond length is 1.67 Å. The Si(1)-O(19) bond length is 1.62 Å. The Si(1)-O(3) bond length is 1.66 Å. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and corners with three equivalent Fe(1)O5 trigonal bipyramids. The Si(2)-O(12) bond length is 1.63 Å. The Si(2)-O(3) bond length is 1.65 Å. The Si(2)-O(5) bond length is 1.66 Å. The Si(2)-O(7) bond length is 1.63 Å. In the third Si site, Si(3) is bonded to one O(10), one O(13), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with three equivalent Fe(3)O5 trigonal bipyramids. The Si(3)-O(10) bond length is 1.67 Å. The Si(3)-O(13) bond length is 1.63 Å. The Si(3)-O(4) bond length is 1.61 Å. The Si(3)-O(6) bond length is 1.66 Å. In the fourth Si site, Si(4) is bonded to one O(11), one O(15), one O(17), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  a cornercorner with one Fe(3)O5 trigonal bipyramid, and corners with three equivalent Fe(2)O5 trigonal bipyramids. The Si(4)-O(11) bond length is 1.64 Å. The Si(4)-O(15) bond length is 1.69 Å. The Si(4)-O(17) bond length is 1.64 Å. The Si(4)-O(8) bond length is 1.64 Å. In the fifth Si site, Si(5) is bonded to one O(14), one O(16), one O(18), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(6)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with three equivalent Fe(4)O5 trigonal bipyramids. The Si(5)-O(14) bond length is 1.65 Å. The Si(5)-O(16) bond length is 1.68 Å. The Si(5)-O(18) bond length is 1.64 Å. The Si(5)-O(9) bond length is 1.64 Å. In the sixth Si site, Si(6) is bonded to one O(11), one O(18), one O(2), and one O(20) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  a cornercorner with one Fe(4)O5 trigonal bipyramid. The Si(6)-O(11) bond length is 1.64 Å. The Si(6)-O(18) bond length is 1.64 Å. The Si(6)-O(2) bond length is 1.64 Å. The Si(6)-O(20) bond length is 1.63 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one Si(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(3) and one Si(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1), one Fe(4), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one Si(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one Si(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Si(1), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Si(4) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Fe(1), and one Si(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(3), one Fe(3), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(1), one Fe(4), and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Fe(3), and one Si(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(4), and one Si(5) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Si(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Si(5) and one Si(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Fe(3), and one Si(1) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(4) and one Si(6) atom.