Li3Ga(BO3)2 is Clathrate-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ga(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with three equivalent Ga(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(3)O4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Ga(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. Ga(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form GaO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one B(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Ga(1), and one B(2) atom to form distorted OLi2GaB trigonal pyramids that share corners with two equivalent O(4)Li3B trigonal pyramids and  an edgeedge with one O(5)Li2GaB tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Ga(1), and one B(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), and one B(1) atom to form distorted corner-sharing OLi3B trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ga(1), and one B(1) atom to form distorted OLi2GaB tetrahedra that share corners with three equivalent O(4)Li3B trigonal pyramids and  an edgeedge with one O(2)Li2GaB trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Ga(1), and one B(1) atom.
Li3Ga(BO3)2 is Clathrate-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Ga(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(4) bond length is 1.96 Å. There is one shorter (1.93 Å) and one longer (2.09 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with three equivalent Ga(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(3)O4 trigonal pyramids. The Li(2)-O(3) bond length is 1.97 Å. The Li(2)-O(4) bond length is 1.96 Å. The Li(2)-O(5) bond length is 2.07 Å. The Li(2)-O(6) bond length is 1.95 Å. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Ga(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Li(3)-O(1) bond length is 1.92 Å. The Li(3)-O(2) bond length is 2.31 Å. The Li(3)-O(4) bond length is 1.95 Å. The Li(3)-O(5) bond length is 2.03 Å. Ga(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form GaO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Ga(1)-O(2) bond length is 1.85 Å. The Ga(1)-O(3) bond length is 1.85 Å. The Ga(1)-O(5) bond length is 1.92 Å. The Ga(1)-O(6) bond length is 1.85 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The B(1)-O(4) bond length is 1.35 Å. The B(1)-O(5) bond length is 1.42 Å. The B(1)-O(6) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(2)-O(1) bond length is 1.35 Å. The B(2)-O(2) bond length is 1.41 Å. The B(2)-O(3) bond length is 1.40 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one B(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Ga(1), and one B(2) atom to form distorted OLi2GaB trigonal pyramids that share corners with two equivalent O(4)Li3B trigonal pyramids and  an edgeedge with one O(5)Li2GaB tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Ga(1), and one B(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), and one B(1) atom to form distorted corner-sharing OLi3B trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ga(1), and one B(1) atom to form distorted OLi2GaB tetrahedra that share corners with three equivalent O(4)Li3B trigonal pyramids and  an edgeedge with one O(2)Li2GaB trigonal pyramid. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Ga(1), and one B(1) atom.