LiIn4(HgO4)2 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent In(1), two equivalent In(2), two equivalent O(1), and two equivalent O(2) atoms to form LiIn4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra, corners with six equivalent O(3)In3Hg trigonal pyramids, and corners with six equivalent O(4)In3Hg trigonal pyramids. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form HgO4 tetrahedra that share corners with four equivalent Li(1)In4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(1), and two equivalent In(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(2), and two equivalent In(1) atoms. In the third O site, O(3) is bonded to one Hg(2), one In(1), and two equivalent In(2) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(3)In3Hg trigonal pyramid, corners with two equivalent O(4)In3Hg trigonal pyramids,  an edgeedge with one O(3)In3Hg trigonal pyramid, and edges with two equivalent O(4)In3Hg trigonal pyramids. In the fourth O site, O(4) is bonded to one Hg(2), one In(2), and two equivalent In(1) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(4)In3Hg trigonal pyramid, corners with two equivalent O(3)In3Hg trigonal pyramids,  an edgeedge with one O(4)In3Hg trigonal pyramid, and edges with two equivalent O(3)In3Hg trigonal pyramids.
LiIn4(HgO4)2 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent In(1), two equivalent In(2), two equivalent O(1), and two equivalent O(2) atoms to form LiIn4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra, corners with six equivalent O(3)In3Hg trigonal pyramids, and corners with six equivalent O(4)In3Hg trigonal pyramids. Both Li(1)-In(1) bond lengths are 2.24 Å. Both Li(1)-In(2) bond lengths are 2.23 Å. Both Li(1)-O(1) bond lengths are 1.79 Å. Both Li(1)-O(2) bond lengths are 1.79 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form HgO4 tetrahedra that share corners with four equivalent Li(1)In4O4 tetrahedra. Both Hg(1)-O(1) bond lengths are 2.41 Å. Both Hg(1)-O(2) bond lengths are 2.43 Å. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Hg(2)-O(3) bond lengths are 2.38 Å. Both Hg(2)-O(4) bond lengths are 2.38 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. The In(1)-O(1) bond length is 2.35 Å. The In(1)-O(3) bond length is 2.20 Å. Both In(1)-O(2) bond lengths are 2.35 Å. Both In(1)-O(4) bond lengths are 2.20 Å. In the second In site, In(2) is bonded in a 7-coordinate geometry to one Li(1), one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. The In(2)-O(2) bond length is 2.35 Å. The In(2)-O(4) bond length is 2.20 Å. Both In(2)-O(1) bond lengths are 2.36 Å. Both In(2)-O(3) bond lengths are 2.20 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(1), and two equivalent In(2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Hg(1), one In(2), and two equivalent In(1) atoms. In the third O site, O(3) is bonded to one Hg(2), one In(1), and two equivalent In(2) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(3)In3Hg trigonal pyramid, corners with two equivalent O(4)In3Hg trigonal pyramids,  an edgeedge with one O(3)In3Hg trigonal pyramid, and edges with two equivalent O(4)In3Hg trigonal pyramids. In the fourth O site, O(4) is bonded to one Hg(2), one In(2), and two equivalent In(1) atoms to form distorted OIn3Hg trigonal pyramids that share corners with three equivalent Li(1)In4O4 tetrahedra,  a cornercorner with one O(4)In3Hg trigonal pyramid, corners with two equivalent O(3)In3Hg trigonal pyramids,  an edgeedge with one O(4)In3Hg trigonal pyramid, and edges with two equivalent O(3)In3Hg trigonal pyramids.