K8Li3Cr4O16 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 6-coordinate geometry to one O(16), one O(3), one O(4), one O(6), and two equivalent O(12) atoms. In the third K site, K(3) is bonded in a 3-coordinate geometry to one O(13), one O(5), one O(6), and one O(8) atom. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(10), one O(6), one O(8), and two equivalent O(2) atoms. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(7), one O(9), and two equivalent O(15) atoms. In the sixth K site, K(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(4), and one O(9) atom. In the seventh K site, K(7) is bonded to one O(1), one O(11), one O(13), one O(14), and two equivalent O(5) atoms to form distorted KO6 octahedra that share corners with two equivalent K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. In the eighth K site, K(8) is bonded to one O(11), one O(12), one O(15), one O(16), one O(3), and one O(7) atom to form distorted KO6 pentagonal pyramids that share  a cornercorner with one K(7)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra, corners with two equivalent Cr(4)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Li site, Li(2) is bonded to one O(14), one O(3), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid, corners with two equivalent Cr(3)O4 tetrahedra,  an edgeedge with one K(7)O6 octahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. In the third Li site, Li(3) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent K(8)O6 pentagonal pyramids, corners with two equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Cr(4)O4 tetrahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(16), one O(2), one O(7), and one O(9) atom to form CrO4 tetrahedra that share corners with two equivalent K(8)O6 pentagonal pyramids, corners with two equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(11), one O(3), one O(4), and one O(5) atom to form CrO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra, corners with two equivalent K(8)O6 pentagonal pyramids,  an edgeedge with one K(7)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 85°. In the third Cr site, Cr(3) is bonded to one O(12), one O(13), one O(14), and one O(6) atom to form CrO4 tetrahedra that share corners with two equivalent K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-59°. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(10), one O(15), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 91°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one K(5), one K(7), one Li(1), and one Cr(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(4), one Li(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(8), one Li(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2), one K(6), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(7), one Li(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Li(2), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(5), one K(8), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(3), one K(4), one Li(1), one Li(3), and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one K(5), one K(6), one Li(1), one Li(3), and one Cr(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one K(4), two equivalent K(1), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one K(5), one K(6), one K(7), one K(8), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one K(6), one K(8), two equivalent K(2), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one K(3), one K(6), one K(7), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(1), one K(7), one Li(2), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one K(8), two equivalent K(5), one Li(3), and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(8), one Li(3), and one Cr(1) atom.
K8Li3Cr4O16 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 2.66 Å. The K(1)-O(14) bond length is 2.86 Å. The K(1)-O(2) bond length is 2.72 Å. The K(1)-O(6) bond length is 3.25 Å. The K(1)-O(7) bond length is 3.00 Å. There is one shorter (2.79 Å) and one longer (3.22 Å) K(1)-O(10) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(16), one O(3), one O(4), one O(6), and two equivalent O(12) atoms. The K(2)-O(16) bond length is 2.90 Å. The K(2)-O(3) bond length is 2.75 Å. The K(2)-O(4) bond length is 2.84 Å. The K(2)-O(6) bond length is 3.10 Å. There is one shorter (2.77 Å) and one longer (3.05 Å) K(2)-O(12) bond length. In the third K site, K(3) is bonded in a 3-coordinate geometry to one O(13), one O(5), one O(6), and one O(8) atom. The K(3)-O(13) bond length is 2.88 Å. The K(3)-O(5) bond length is 2.83 Å. The K(3)-O(6) bond length is 2.65 Å. The K(3)-O(8) bond length is 3.02 Å. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(10), one O(6), one O(8), and two equivalent O(2) atoms. The K(4)-O(10) bond length is 2.74 Å. The K(4)-O(6) bond length is 2.95 Å. The K(4)-O(8) bond length is 2.76 Å. There is one shorter (2.74 Å) and one longer (3.16 Å) K(4)-O(2) bond length. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(7), one O(9), and two equivalent O(15) atoms. The K(5)-O(1) bond length is 3.04 Å. The K(5)-O(11) bond length is 3.03 Å. The K(5)-O(7) bond length is 2.72 Å. The K(5)-O(9) bond length is 2.74 Å. There is one shorter (2.75 Å) and one longer (3.08 Å) K(5)-O(15) bond length. In the sixth K site, K(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(4), and one O(9) atom. The K(6)-O(11) bond length is 2.61 Å. The K(6)-O(12) bond length is 2.63 Å. The K(6)-O(13) bond length is 2.98 Å. The K(6)-O(4) bond length is 2.83 Å. The K(6)-O(9) bond length is 2.92 Å. In the seventh K site, K(7) is bonded to one O(1), one O(11), one O(13), one O(14), and two equivalent O(5) atoms to form distorted KO6 octahedra that share corners with two equivalent K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Cr(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 21°. The K(7)-O(1) bond length is 3.08 Å. The K(7)-O(11) bond length is 2.96 Å. The K(7)-O(13) bond length is 2.86 Å. The K(7)-O(14) bond length is 2.73 Å. There is one shorter (2.72 Å) and one longer (3.05 Å) K(7)-O(5) bond length. In the eighth K site, K(8) is bonded to one O(11), one O(12), one O(15), one O(16), one O(3), and one O(7) atom to form distorted KO6 pentagonal pyramids that share  a cornercorner with one K(7)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra,  a cornercorner with one Cr(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 64°. The K(8)-O(11) bond length is 2.98 Å. The K(8)-O(12) bond length is 2.85 Å. The K(8)-O(15) bond length is 2.93 Å. The K(8)-O(16) bond length is 2.77 Å. The K(8)-O(3) bond length is 2.82 Å. The K(8)-O(7) bond length is 2.82 Å. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra, corners with two equivalent Cr(4)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(8) bond length is 1.95 Å. The Li(1)-O(9) bond length is 2.13 Å. In the second Li site, Li(2) is bonded to one O(14), one O(3), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid, corners with two equivalent Cr(3)O4 tetrahedra,  an edgeedge with one K(7)O6 octahedra, and  an edgeedge with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. The Li(2)-O(14) bond length is 1.89 Å. The Li(2)-O(3) bond length is 2.22 Å. The Li(2)-O(5) bond length is 2.04 Å. The Li(2)-O(6) bond length is 1.90 Å. In the third Li site, Li(3) is bonded to one O(15), one O(16), one O(8), and one O(9) atom to form distorted LiO4 tetrahedra that share corners with two equivalent K(8)O6 pentagonal pyramids, corners with two equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Cr(4)O4 tetrahedra. The Li(3)-O(15) bond length is 2.00 Å. The Li(3)-O(16) bond length is 1.94 Å. The Li(3)-O(8) bond length is 2.10 Å. The Li(3)-O(9) bond length is 1.96 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(16), one O(2), one O(7), and one O(9) atom to form CrO4 tetrahedra that share corners with two equivalent K(8)O6 pentagonal pyramids, corners with two equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Cr(1)-O(16) bond length is 1.74 Å. The Cr(1)-O(2) bond length is 1.75 Å. The Cr(1)-O(7) bond length is 1.70 Å. The Cr(1)-O(9) bond length is 1.75 Å. In the second Cr site, Cr(2) is bonded to one O(11), one O(3), one O(4), and one O(5) atom to form CrO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra, corners with two equivalent K(8)O6 pentagonal pyramids,  an edgeedge with one K(7)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 85°. The Cr(2)-O(11) bond length is 1.66 Å. The Cr(2)-O(3) bond length is 1.66 Å. The Cr(2)-O(4) bond length is 1.66 Å. The Cr(2)-O(5) bond length is 1.68 Å. In the third Cr site, Cr(3) is bonded to one O(12), one O(13), one O(14), and one O(6) atom to form CrO4 tetrahedra that share corners with two equivalent K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid, and corners with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-59°. The Cr(3)-O(12) bond length is 1.72 Å. The Cr(3)-O(13) bond length is 1.73 Å. The Cr(3)-O(14) bond length is 1.74 Å. The Cr(3)-O(6) bond length is 1.76 Å. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(10), one O(15), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one K(7)O6 octahedra,  a cornercorner with one K(8)O6 pentagonal pyramid, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 91°. The Cr(4)-O(1) bond length is 1.74 Å. The Cr(4)-O(10) bond length is 1.70 Å. The Cr(4)-O(15) bond length is 1.75 Å. The Cr(4)-O(8) bond length is 1.75 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), one K(5), one K(7), one Li(1), and one Cr(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(4), one Li(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(8), one Li(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(2), one K(6), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(7), one Li(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one K(2), one K(3), one K(4), one Li(2), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one K(5), one K(8), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one K(3), one K(4), one Li(1), one Li(3), and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one K(5), one K(6), one Li(1), one Li(3), and one Cr(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one K(4), two equivalent K(1), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one K(5), one K(6), one K(7), one K(8), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one K(6), one K(8), two equivalent K(2), and one Cr(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one K(3), one K(6), one K(7), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(1), one K(7), one Li(2), and one Cr(3) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one K(8), two equivalent K(5), one Li(3), and one Cr(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(8), one Li(3), and one Cr(1) atom.