LiY4(BiO3)4 crystallizes in the monoclinic Pm space group. Li(1) is bonded to one O(5), one O(7), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Bi(2)O5 trigonal bipyramids. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(3)O6 pentagonal pyramids, edges with two equivalent Y(3)O6 pentagonal pyramids, and edges with two equivalent Bi(2)O5 trigonal bipyramids. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the third Y site, Y(3) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(1)O6 pentagonal pyramids, corners with four equivalent Bi(2)O5 trigonal bipyramids, and edges with two equivalent Y(1)O6 pentagonal pyramids. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Y(3)O6 pentagonal pyramids, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Bi(2)O5 trigonal bipyramid, and  an edgeedge with one Y(1)O6 pentagonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(4), one Bi(1), and one Bi(2) atom to form OY2Bi2 tetrahedra that share corners with two equivalent O(2)Y2Bi2 tetrahedra, corners with two equivalent O(4)Y2Bi2 tetrahedra, corners with three equivalent O(7)LiY2Bi2 trigonal bipyramids, and  an edgeedge with one O(1)Y2Bi2 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(3), one Bi(1), and one Bi(2) atom to form OY2Bi2 tetrahedra that share corners with two equivalent O(1)Y2Bi2 tetrahedra, corners with two equivalent O(4)Y2Bi2 tetrahedra,  a cornercorner with one O(7)LiY2Bi2 trigonal bipyramid,  an edgeedge with one O(2)Y2Bi2 tetrahedra, and edges with two equivalent O(4)Y2Bi2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Y(4), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Y(1), one Y(3), one Bi(1), and one Bi(2) atom to form distorted OY2Bi2 tetrahedra that share corners with two equivalent O(1)Y2Bi2 tetrahedra, corners with two equivalent O(2)Y2Bi2 tetrahedra,  a cornercorner with one O(7)LiY2Bi2 trigonal bipyramid,  an edgeedge with one O(4)Y2Bi2 tetrahedra, and edges with two equivalent O(2)Y2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Y(2), and one Y(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(3), and two equivalent Bi(1) atoms. In the seventh O site, O(7) is bonded to one Li(1), one Y(2), one Y(4), and two equivalent Bi(2) atoms to form distorted corner-sharing OLiY2Bi2 trigonal bipyramids. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Y(1), one Y(3), and two equivalent Bi(1) atoms.
LiY4(BiO3)4 crystallizes in the monoclinic Pm space group. Li(1) is bonded to one O(5), one O(7), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Bi(2)O5 trigonal bipyramids. The Li(1)-O(5) bond length is 1.82 Å. The Li(1)-O(7) bond length is 1.98 Å. Both Li(1)-O(3) bond lengths are 2.07 Å. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(3)O6 pentagonal pyramids, edges with two equivalent Y(3)O6 pentagonal pyramids, and edges with two equivalent Bi(2)O5 trigonal bipyramids. The Y(1)-O(6) bond length is 2.24 Å. The Y(1)-O(8) bond length is 2.29 Å. Both Y(1)-O(2) bond lengths are 2.31 Å. Both Y(1)-O(4) bond lengths are 2.38 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. The Y(2)-O(5) bond length is 2.20 Å. The Y(2)-O(7) bond length is 2.41 Å. Both Y(2)-O(1) bond lengths are 2.28 Å. Both Y(2)-O(3) bond lengths are 2.40 Å. In the third Y site, Y(3) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form distorted YO6 pentagonal pyramids that share corners with two equivalent Y(1)O6 pentagonal pyramids, corners with four equivalent Bi(2)O5 trigonal bipyramids, and edges with two equivalent Y(1)O6 pentagonal pyramids. The Y(3)-O(6) bond length is 2.26 Å. The Y(3)-O(8) bond length is 2.34 Å. Both Y(3)-O(2) bond lengths are 2.32 Å. Both Y(3)-O(4) bond lengths are 2.32 Å. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. The Y(4)-O(5) bond length is 2.17 Å. The Y(4)-O(7) bond length is 2.37 Å. Both Y(4)-O(1) bond lengths are 2.27 Å. Both Y(4)-O(3) bond lengths are 2.52 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. The Bi(1)-O(1) bond length is 2.52 Å. The Bi(1)-O(2) bond length is 2.34 Å. The Bi(1)-O(3) bond length is 2.46 Å. The Bi(1)-O(4) bond length is 2.25 Å. The Bi(1)-O(6) bond length is 2.63 Å. The Bi(1)-O(8) bond length is 2.46 Å. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Y(3)O6 pentagonal pyramids, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Bi(2)O5 trigonal bipyramid, and  an edgeedge with one Y(1)O6 pentagonal pyramid. The Bi(2)-O(1) bond length is 2.27 Å. The Bi(2)-O(2) bond length is 2.43 Å. The Bi(2)-O(3) bond length is 2.40 Å. The Bi(2)-O(4) bond length is 2.47 Å. The Bi(2)-O(7) bond length is 2.54 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(4), one Bi(1), and one Bi(2) atom to form OY2Bi2 tetrahedra that share corners with two equivalent O(2)Y2Bi2 tetrahedra, corners with two equivalent O(4)Y2Bi2 tetrahedra, corners with three equivalent O(7)LiY2Bi2 trigonal bipyramids, and  an edgeedge with one O(1)Y2Bi2 tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(3), one Bi(1), and one Bi(2) atom to form OY2Bi2 tetrahedra that share corners with two equivalent O(1)Y2Bi2 tetrahedra, corners with two equivalent O(4)Y2Bi2 tetrahedra,  a cornercorner with one O(7)LiY2Bi2 trigonal bipyramid,  an edgeedge with one O(2)Y2Bi2 tetrahedra, and edges with two equivalent O(4)Y2Bi2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Y(4), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Y(1), one Y(3), one Bi(1), and one Bi(2) atom to form distorted OY2Bi2 tetrahedra that share corners with two equivalent O(1)Y2Bi2 tetrahedra, corners with two equivalent O(2)Y2Bi2 tetrahedra,  a cornercorner with one O(7)LiY2Bi2 trigonal bipyramid,  an edgeedge with one O(4)Y2Bi2 tetrahedra, and edges with two equivalent O(2)Y2Bi2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Y(2), and one Y(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(3), and two equivalent Bi(1) atoms. In the seventh O site, O(7) is bonded to one Li(1), one Y(2), one Y(4), and two equivalent Bi(2) atoms to form distorted corner-sharing OLiY2Bi2 trigonal bipyramids. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Y(1), one Y(3), and two equivalent Bi(1) atoms.