Li3SiCSbO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O5 square pyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted SbO5 square pyramids that share corners with four equivalent Si(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Si(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb trigonal pyramids.
Li3SiCSbO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(2) bond length is 2.26 Å. The Li(1)-O(3) bond length is 1.95 Å. Both Li(1)-O(4) bond lengths are 2.45 Å. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(5), and one O(6) atom. The Li(2)-O(1) bond length is 2.03 Å. The Li(2)-O(4) bond length is 1.98 Å. The Li(2)-O(5) bond length is 1.99 Å. The Li(2)-O(6) bond length is 2.46 Å. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O5 square pyramids. The Si(1)-O(5) bond length is 1.64 Å. The Si(1)-O(6) bond length is 1.68 Å. Both Si(1)-O(4) bond lengths are 1.65 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(2) bond length is 1.33 Å. The C(1)-O(3) bond length is 1.28 Å. Sb(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted SbO5 square pyramids that share corners with four equivalent Si(1)O4 tetrahedra. The Sb(1)-O(2) bond length is 2.21 Å. The Sb(1)-O(5) bond length is 2.43 Å. The Sb(1)-O(6) bond length is 2.07 Å. Both Sb(1)-O(4) bond lengths are 2.21 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Si(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(2), one Si(1), and one Sb(1) atom to form distorted corner-sharing OLi2SiSb trigonal pyramids.