KLi3PbO4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with two equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. Pb(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted PbO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(2), one Li(3), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(2), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Pb(1) atom.
KLi3PbO4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There is one shorter (2.75 Å) and one longer (2.99 Å) K(1)-O(1) bond length. There is one shorter (2.88 Å) and one longer (3.01 Å) K(1)-O(2) bond length. There is one shorter (2.65 Å) and one longer (2.90 Å) K(1)-O(3) bond length. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with two equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.98 Å. There is one shorter (2.06 Å) and one longer (2.10 Å) Li(1)-O(4) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. The Li(2)-O(1) bond length is 2.06 Å. The Li(2)-O(4) bond length is 2.04 Å. There is one shorter (2.04 Å) and one longer (2.06 Å) Li(2)-O(3) bond length. In the third Li site, Li(3) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Pb(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. The Li(3)-O(1) bond length is 1.99 Å. The Li(3)-O(4) bond length is 2.03 Å. There is one shorter (1.97 Å) and one longer (2.00 Å) Li(3)-O(2) bond length. Pb(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted PbO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Pb(1)O5 trigonal bipyramid. The Pb(1)-O(2) bond length is 2.10 Å. The Pb(1)-O(3) bond length is 2.11 Å. The Pb(1)-O(4) bond length is 2.22 Å. There is one shorter (2.17 Å) and one longer (2.35 Å) Pb(1)-O(1) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(2), one Li(3), and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Li(1), two equivalent Li(2), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Pb(1) atom.