Li4ScIn3(SiO3)8 crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent In(2)O6 octahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form InO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent In(3)O6 octahedra. In the second In site, In(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form InO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. In the third In site, In(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form InO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(2)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(2)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one In(2)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one In(1), one In(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one In(2), and one Si(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one In(1), one In(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Sc(1), one In(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Sc(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one In(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one In(2), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one In(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(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom.
Li4ScIn3(SiO3)8 crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(7) atoms. Both Li(1)-O(2) bond lengths are 2.10 Å. Both Li(1)-O(7) bond lengths are 2.04 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(8) atoms. Both Li(2)-O(1) bond lengths are 2.09 Å. Both Li(2)-O(8) bond lengths are 2.04 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Li(3)-O(4) bond lengths are 2.10 Å. Both Li(3)-O(5) bond lengths are 2.07 Å. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. Both Li(4)-O(3) bond lengths are 2.10 Å. Both Li(4)-O(6) bond lengths are 2.04 Å. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent In(2)O6 octahedra. Both Sc(1)-O(2) bond lengths are 2.27 Å. Both Sc(1)-O(4) bond lengths are 2.12 Å. Both Sc(1)-O(5) bond lengths are 2.02 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form InO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent In(3)O6 octahedra. Both In(1)-O(1) bond lengths are 2.30 Å. Both In(1)-O(3) bond lengths are 2.16 Å. Both In(1)-O(6) bond lengths are 2.11 Å. In the second In site, In(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form InO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent Sc(1)O6 octahedra. Both In(2)-O(2) bond lengths are 2.17 Å. Both In(2)-O(4) bond lengths are 2.30 Å. Both In(2)-O(7) bond lengths are 2.11 Å. In the third In site, In(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form InO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra, and edges with two equivalent In(1)O6 octahedra. Both In(3)-O(1) bond lengths are 2.17 Å. Both In(3)-O(3) bond lengths are 2.29 Å. Both In(3)-O(8) bond lengths are 2.11 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. The Si(1)-O(1) bond length is 1.66 Å. The Si(1)-O(11) bond length is 1.65 Å. The Si(1)-O(5) bond length is 1.62 Å. The Si(1)-O(9) bond length is 1.65 Å. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(2), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(2)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. The Si(2)-O(10) bond length is 1.65 Å. The Si(2)-O(12) bond length is 1.65 Å. The Si(2)-O(2) bond length is 1.66 Å. The Si(2)-O(6) bond length is 1.61 Å. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(2)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. The Si(3)-O(11) bond length is 1.65 Å. The Si(3)-O(3) bond length is 1.66 Å. The Si(3)-O(7) bond length is 1.62 Å. The Si(3)-O(9) bond length is 1.65 Å. In the fourth Si site, Si(4) is bonded to one O(10), one O(12), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one In(2)O6 octahedra,  a cornercorner with one In(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-61°. The Si(4)-O(10) bond length is 1.65 Å. The Si(4)-O(12) bond length is 1.65 Å. The Si(4)-O(4) bond length is 1.66 Å. The Si(4)-O(8) bond length is 1.61 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one In(1), one In(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one In(2), and one Si(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one In(1), one In(3), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Sc(1), one In(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Sc(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one In(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one In(2), and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one In(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(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(4) atom.