K8Li3(FeO4)4 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(2), one O(6), one O(7), and two equivalent O(10) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(15), one O(3), one O(4), and two equivalent O(11) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(9), and two equivalent O(13) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(12), one O(7), one O(8), and two equivalent O(16) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(5), one O(9), and two equivalent O(1) atoms. In the sixth K site, K(6) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(13), one O(15), one O(16), one O(8), and two equivalent O(4) atoms. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(2), and two equivalent O(6) atoms. In the eighth K site, K(8) is bonded in a 3-coordinate geometry to one O(15), one O(16), and one O(7) atom. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(3), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(4)O4 tetrahedra and  an edgeedge with one Fe(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(14), and one O(3) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  an edgeedge with one Li(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(14), and one O(5) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(16), one O(2), and one O(9) atom to form FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(5), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(3), one K(7), one Li(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Li(1), one Li(3), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), one K(5), one Li(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(3), two equivalent K(7), one Li(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(4), one K(8), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(4), one K(6), one Li(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(3), one K(5), one Li(2), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one K(5), one K(7), two equivalent K(1), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(6), two equivalent K(2), one Li(3), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(4), one K(6), one K(7), one Li(3), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one K(6), one K(7), two equivalent K(3), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one K(1), one K(7), one Li(1), one Li(3), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one K(2), one K(5), one K(6), one K(8), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one K(6), one K(8), two equivalent K(4), and one Fe(4) atom.
K8Li3(FeO4)4 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(14), one O(2), one O(6), one O(7), and two equivalent O(10) atoms. The K(1)-O(1) bond length is 2.77 Å. The K(1)-O(14) bond length is 2.94 Å. The K(1)-O(2) bond length is 2.71 Å. The K(1)-O(6) bond length is 3.05 Å. The K(1)-O(7) bond length is 2.99 Å. There is one shorter (2.91 Å) and one longer (3.07 Å) K(1)-O(10) bond length. In the second K site, K(2) is bonded in a 5-coordinate geometry to one O(15), one O(3), one O(4), and two equivalent O(11) atoms. The K(2)-O(15) bond length is 2.88 Å. The K(2)-O(3) bond length is 2.75 Å. The K(2)-O(4) bond length is 2.76 Å. There is one shorter (2.75 Å) and one longer (2.97 Å) K(2)-O(11) bond length. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(9), and two equivalent O(13) atoms. The K(3)-O(2) bond length is 3.17 Å. The K(3)-O(4) bond length is 2.87 Å. The K(3)-O(5) bond length is 2.69 Å. The K(3)-O(6) bond length is 2.75 Å. The K(3)-O(9) bond length is 2.84 Å. There is one shorter (2.79 Å) and one longer (3.08 Å) K(3)-O(13) bond length. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(12), one O(7), one O(8), and two equivalent O(16) atoms. The K(4)-O(12) bond length is 2.81 Å. The K(4)-O(7) bond length is 2.79 Å. The K(4)-O(8) bond length is 2.76 Å. There is one shorter (2.78 Å) and one longer (2.95 Å) K(4)-O(16) bond length. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(5), one O(9), and two equivalent O(1) atoms. The K(5)-O(10) bond length is 3.07 Å. The K(5)-O(15) bond length is 2.88 Å. The K(5)-O(5) bond length is 3.07 Å. The K(5)-O(9) bond length is 2.75 Å. There is one shorter (2.71 Å) and one longer (2.89 Å) K(5)-O(1) bond length. In the sixth K site, K(6) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(13), one O(15), one O(16), one O(8), and two equivalent O(4) atoms. The K(6)-O(11) bond length is 2.90 Å. The K(6)-O(12) bond length is 2.79 Å. The K(6)-O(13) bond length is 3.29 Å. The K(6)-O(15) bond length is 2.82 Å. The K(6)-O(16) bond length is 3.09 Å. The K(6)-O(8) bond length is 2.76 Å. There is one shorter (2.85 Å) and one longer (3.32 Å) K(6)-O(4) bond length. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(2), and two equivalent O(6) atoms. The K(7)-O(10) bond length is 3.30 Å. The K(7)-O(12) bond length is 3.12 Å. The K(7)-O(13) bond length is 2.72 Å. The K(7)-O(14) bond length is 2.74 Å. The K(7)-O(2) bond length is 3.02 Å. There is one shorter (2.75 Å) and one longer (2.97 Å) K(7)-O(6) bond length. In the eighth K site, K(8) is bonded in a 3-coordinate geometry to one O(15), one O(16), and one O(7) atom. The K(8)-O(15) bond length is 2.54 Å. The K(8)-O(16) bond length is 2.72 Å. The K(8)-O(7) bond length is 2.83 Å. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(3), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(3)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O4 tetrahedra. The Li(1)-O(14) bond length is 1.95 Å. The Li(1)-O(3) bond length is 2.11 Å. The Li(1)-O(5) bond length is 1.93 Å. The Li(1)-O(6) bond length is 1.99 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(4)O4 tetrahedra and  an edgeedge with one Fe(1)O4 tetrahedra. The Li(2)-O(1) bond length is 1.93 Å. The Li(2)-O(2) bond length is 1.96 Å. The Li(2)-O(8) bond length is 1.99 Å. The Li(2)-O(9) bond length is 1.98 Å. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(14), and one O(3) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Fe(3)O4 tetrahedra. The Li(3)-O(11) bond length is 2.00 Å. The Li(3)-O(12) bond length is 1.94 Å. The Li(3)-O(14) bond length is 2.06 Å. The Li(3)-O(3) bond length is 1.97 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form FeO4 tetrahedra that share  an edgeedge with one Li(2)O4 tetrahedra. The Fe(1)-O(1) bond length is 1.75 Å. The Fe(1)-O(15) bond length is 1.70 Å. The Fe(1)-O(7) bond length is 1.73 Å. The Fe(1)-O(8) bond length is 1.72 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. The Fe(2)-O(12) bond length is 1.75 Å. The Fe(2)-O(3) bond length is 1.77 Å. The Fe(2)-O(4) bond length is 1.72 Å. The Fe(2)-O(6) bond length is 1.76 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(14), and one O(5) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(3)O4 tetrahedra. The Fe(3)-O(11) bond length is 1.75 Å. The Fe(3)-O(13) bond length is 1.72 Å. The Fe(3)-O(14) bond length is 1.77 Å. The Fe(3)-O(5) bond length is 1.75 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(16), one O(2), and one O(9) atom to form FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra. The Fe(4)-O(10) bond length is 1.68 Å. The Fe(4)-O(16) bond length is 1.67 Å. The Fe(4)-O(2) bond length is 1.71 Å. The Fe(4)-O(9) bond length is 1.69 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(5), one Li(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one K(3), one K(7), one Li(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(2), one Li(1), one Li(3), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(6), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), one K(5), one Li(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(3), two equivalent K(7), one Li(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(4), one K(8), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(4), one K(6), one Li(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(3), one K(5), one Li(2), and one Fe(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one K(5), one K(7), two equivalent K(1), and one Fe(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(6), two equivalent K(2), one Li(3), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one K(4), one K(6), one K(7), one Li(3), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one K(6), one K(7), two equivalent K(3), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one K(1), one K(7), one Li(1), one Li(3), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one K(2), one K(5), one K(6), one K(8), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one K(6), one K(8), two equivalent K(4), and one Fe(4) atom.