CsKNa2Li12(SiO4)4 crystallizes in the tetragonal I4/m space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. In the fourth Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. In the second Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1); one K(1); one Li(1); two Li(2,2); and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa2Li3Si octahedra. The corner-sharing octahedral tilt angles are 66°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom.
CsKNa2Li12(SiO4)4 crystallizes in the tetragonal I4/m space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Cs(1)-O(1) bond lengths are 3.11 Å. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All K(1)-O(1) bond lengths are 2.87 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. All Na(1)-O(2) bond lengths are 2.51 Å. All Na(1)-O(3) bond lengths are 2.74 Å. In the second Na site, Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. All Na(1)-O(2) bond lengths are 2.51 Å. All Na(1)-O(3) bond lengths are 2.74 Å. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.93 Å. The Li(1)-O(3) bond length is 1.98 Å. Both Li(1)-O(1) bond lengths are 2.07 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Li(2)-O(2) bond length is 1.97 Å. The Li(2)-O(3) bond length is 1.93 Å. There is one shorter (1.95 Å) and one longer (2.34 Å) Li(2)-O(1) bond length. In the third Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.93 Å. The Li(1)-O(3) bond length is 1.98 Å. Both Li(1)-O(1) bond lengths are 2.07 Å. In the fourth Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Li(2)-O(2) bond length is 1.97 Å. The Li(2)-O(3) bond length is 1.93 Å. There is one shorter (1.95 Å) and one longer (2.34 Å) Li(2)-O(1) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. The Si(1)-O(2) bond length is 1.67 Å. The Si(1)-O(3) bond length is 1.65 Å. Both Si(1)-O(1) bond lengths are 1.66 Å. In the second Si site, Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. The Si(1)-O(2) bond length is 1.67 Å. The Si(1)-O(3) bond length is 1.65 Å. Both Si(1)-O(1) bond lengths are 1.66 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1); one K(1); one Li(1); two Li(2,2); and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa2Li3Si octahedra. The corner-sharing octahedral tilt angles are 66°. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Na(1), one Li(1), two equivalent Li(2), and one Si(1) atom.