Li2FeSn(PO4)2 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(9), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded to one O(13), one O(15), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the fourth Li site, Li(4) is bonded to one O(14), one O(16), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(16), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(3), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(11), one O(13), one O(15), one O(5), and one O(9) atom to form distorted SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Sn site, Sn(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(6) atom to form distorted SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(12), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the third P site, P(3) is bonded to one O(13), one O(15), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the fourth P site, P(4) is bonded to one O(14), one O(16), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Sn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Sn(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Sn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one Fe(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Li(4), one Fe(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Sn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Fe(2), one Sn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Sn(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Sn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Sn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Sn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Sn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Sn(2), and one P(4) atom.
Li2FeSn(PO4)2 is Hausmannite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(9), and two equivalent O(2) atoms. The Li(1)-O(11) bond length is 2.21 Å. The Li(1)-O(9) bond length is 2.22 Å. Both Li(1)-O(2) bond lengths are 2.03 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(10), one O(12), and two equivalent O(1) atoms. The Li(2)-O(10) bond length is 2.23 Å. The Li(2)-O(12) bond length is 2.21 Å. Both Li(2)-O(1) bond lengths are 2.03 Å. In the third Li site, Li(3) is bonded to one O(13), one O(15), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(4)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. The Li(3)-O(13) bond length is 2.16 Å. The Li(3)-O(15) bond length is 2.16 Å. There is one shorter (2.22 Å) and one longer (2.23 Å) Li(3)-O(5) bond length. Both Li(3)-O(7) bond lengths are 2.20 Å. In the fourth Li site, Li(4) is bonded to one O(14), one O(16), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. The Li(4)-O(14) bond length is 2.16 Å. The Li(4)-O(16) bond length is 2.16 Å. There is one shorter (2.22 Å) and one longer (2.23 Å) Li(4)-O(6) bond length. Both Li(4)-O(8) bond lengths are 2.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(16), one O(4), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. The Fe(1)-O(11) bond length is 2.25 Å. The Fe(1)-O(14) bond length is 2.14 Å. The Fe(1)-O(16) bond length is 2.14 Å. The Fe(1)-O(4) bond length is 2.33 Å. The Fe(1)-O(7) bond length is 2.16 Å. The Fe(1)-O(9) bond length is 2.25 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(3), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. The Fe(2)-O(10) bond length is 2.24 Å. The Fe(2)-O(12) bond length is 2.25 Å. The Fe(2)-O(13) bond length is 2.14 Å. The Fe(2)-O(15) bond length is 2.14 Å. The Fe(2)-O(3) bond length is 2.32 Å. The Fe(2)-O(8) bond length is 2.17 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(11), one O(13), one O(15), one O(5), and one O(9) atom to form distorted SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent Li(3)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. The Sn(1)-O(1) bond length is 2.57 Å. The Sn(1)-O(11) bond length is 2.40 Å. The Sn(1)-O(13) bond length is 2.52 Å. The Sn(1)-O(15) bond length is 2.52 Å. The Sn(1)-O(5) bond length is 2.54 Å. The Sn(1)-O(9) bond length is 2.39 Å. In the second Sn site, Sn(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(6) atom to form distorted SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. The Sn(2)-O(10) bond length is 2.40 Å. The Sn(2)-O(12) bond length is 2.40 Å. The Sn(2)-O(14) bond length is 2.51 Å. The Sn(2)-O(16) bond length is 2.52 Å. The Sn(2)-O(2) bond length is 2.57 Å. The Sn(2)-O(6) bond length is 2.54 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. The P(1)-O(11) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(9) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(1), one O(10), one O(12), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. The P(2)-O(1) bond length is 1.55 Å. The P(2)-O(10) bond length is 1.58 Å. The P(2)-O(12) bond length is 1.58 Å. The P(2)-O(4) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(13), one O(15), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The P(3)-O(13) bond length is 1.58 Å. The P(3)-O(15) bond length is 1.58 Å. The P(3)-O(6) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.56 Å. In the fourth P site, P(4) is bonded to one O(14), one O(16), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The P(4)-O(14) bond length is 1.58 Å. The P(4)-O(16) bond length is 1.58 Å. The P(4)-O(5) bond length is 1.54 Å. The P(4)-O(8) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Sn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Fe(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Sn(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Sn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(3), one Fe(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Li(4), one Fe(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(1), one Sn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Fe(2), one Sn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Sn(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Sn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Sn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Sn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(3), one Fe(2), one Sn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Sn(2), and one P(4) atom.