Li(SiO2)6 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(12), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and  an edgeedge with one Si(3)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Si(2), and one Si(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Si(3), and one Si(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(3), and one Si(6) atom.
Li(SiO2)6 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(12), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The Li(1)-O(12) bond length is 2.02 Å. The Li(1)-O(4) bond length is 2.07 Å. The Li(1)-O(5) bond length is 2.21 Å. The Li(1)-O(7) bond length is 2.16 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(3), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Si(1)-O(10) bond length is 1.64 Å. The Si(1)-O(3) bond length is 1.64 Å. The Si(1)-O(5) bond length is 1.67 Å. The Si(1)-O(9) bond length is 1.63 Å. In the second Si site, Si(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The Si(2)-O(10) bond length is 1.64 Å. The Si(2)-O(4) bond length is 1.69 Å. The Si(2)-O(6) bond length is 1.63 Å. The Si(2)-O(9) bond length is 1.64 Å. In the third Si site, Si(3) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Si(3)-O(1) bond length is 1.63 Å. The Si(3)-O(12) bond length is 1.67 Å. The Si(3)-O(7) bond length is 1.65 Å. The Si(3)-O(8) bond length is 1.63 Å. In the fourth Si site, Si(4) is bonded to one O(11), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The Si(4)-O(11) bond length is 1.63 Å. The Si(4)-O(2) bond length is 1.64 Å. The Si(4)-O(7) bond length is 1.66 Å. The Si(4)-O(8) bond length is 1.63 Å. In the fifth Si site, Si(5) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The Si(5)-O(1) bond length is 1.63 Å. The Si(5)-O(2) bond length is 1.64 Å. The Si(5)-O(5) bond length is 1.67 Å. The Si(5)-O(6) bond length is 1.63 Å. In the sixth Si site, Si(6) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The Si(6)-O(11) bond length is 1.63 Å. The Si(6)-O(12) bond length is 1.66 Å. The Si(6)-O(3) bond length is 1.64 Å. The Si(6)-O(4) bond length is 1.67 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Si(2), and one Si(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Si(1), and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(5) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one Si(3), and one Si(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Si(3), and one Si(6) atom.