Li4Sc3In(SiO3)8 crystallizes in the triclinic P1 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 one O(14), one O(15), one O(18), and one O(19) atom. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(13), one O(16), one O(17), and one O(20) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(12), one O(21), one O(24), and one O(9) atom. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(10), one O(12), one O(18), one O(19), one O(21), and one O(23) atom to form ScO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one Sc(3)O6 octahedra. In the second Sc site, Sc(2) is bonded to one O(13), one O(15), one O(18), one O(20), one O(21), and one O(24) atom to form ScO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra,  an edgeedge with one Sc(1)O6 octahedra, and  an edgeedge with one In(1)O6 octahedra. In the third Sc site, Sc(3) is bonded to one O(14), one O(16), one O(17), one O(19), one O(22), and one O(23) atom to form ScO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra,  an edgeedge with one Sc(1)O6 octahedra, and  an edgeedge with one In(1)O6 octahedra. In(1) is bonded to one O(11), one O(17), one O(20), one O(22), one O(24), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one Sc(3)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(17), one O(2), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent In(1)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(18), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the third Si site, Si(3) is bonded to one O(11), one O(19), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the fourth Si site, Si(4) is bonded to one O(12), one O(20), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-61°. In the fifth Si site, Si(5) is bonded to one O(13), one O(21), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the sixth Si site, Si(6) is bonded to one O(14), one O(22), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. In the seventh Si site, Si(7) is bonded to one O(1), one O(15), one O(23), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the eighth Si site, Si(8) is bonded to one O(16), one O(2), one O(24), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one In(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(3), one Sc(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one In(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(4), one Sc(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Sc(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(3), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(2), and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Sc(3), and one Si(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(2), one Sc(3), one In(1), and one Si(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(2), and one Si(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(3), and one Si(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(2), one Sc(2), one In(1), and one Si(4) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Sc(1), one Sc(2), and one Si(5) atom. In the twenty-second O site, O(22) is bonded to one Li(3), one Sc(3), one In(1), and one Si(6) atom to form distorted corner-sharing OLiScInSi trigonal pyramids. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Sc(1), one Sc(3), and one Si(7) atom. In the twenty-fourth O site, O(24) is bonded to one Li(4), one Sc(2), one In(1), and one Si(8) atom to form distorted corner-sharing OLiScInSi trigonal pyramids.
Li4Sc3In(SiO3)8 crystallizes in the triclinic P1 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 one O(14), one O(15), one O(18), and one O(19) atom. The Li(1)-O(14) bond length is 2.09 Å. The Li(1)-O(15) bond length is 2.09 Å. The Li(1)-O(18) bond length is 2.09 Å. The Li(1)-O(19) bond length is 2.10 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(13), one O(16), one O(17), and one O(20) atom. The Li(2)-O(13) bond length is 2.09 Å. The Li(2)-O(16) bond length is 2.09 Å. The Li(2)-O(17) bond length is 2.09 Å. The Li(2)-O(20) bond length is 2.09 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(22), and one O(23) atom. The Li(3)-O(10) bond length is 2.09 Å. The Li(3)-O(11) bond length is 2.06 Å. The Li(3)-O(22) bond length is 2.09 Å. The Li(3)-O(23) bond length is 2.10 Å. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(12), one O(21), one O(24), and one O(9) atom. The Li(4)-O(12) bond length is 2.09 Å. The Li(4)-O(21) bond length is 2.09 Å. The Li(4)-O(24) bond length is 2.08 Å. The Li(4)-O(9) bond length is 2.05 Å. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(10), one O(12), one O(18), one O(19), one O(21), and one O(23) atom to form ScO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one Sc(3)O6 octahedra. The Sc(1)-O(10) bond length is 2.02 Å. The Sc(1)-O(12) bond length is 2.03 Å. The Sc(1)-O(18) bond length is 2.28 Å. The Sc(1)-O(19) bond length is 2.27 Å. The Sc(1)-O(21) bond length is 2.12 Å. The Sc(1)-O(23) bond length is 2.12 Å. In the second Sc site, Sc(2) is bonded to one O(13), one O(15), one O(18), one O(20), one O(21), and one O(24) atom to form ScO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(5)O4 tetrahedra,  an edgeedge with one Sc(1)O6 octahedra, and  an edgeedge with one In(1)O6 octahedra. The Sc(2)-O(13) bond length is 2.02 Å. The Sc(2)-O(15) bond length is 2.02 Å. The Sc(2)-O(18) bond length is 2.11 Å. The Sc(2)-O(20) bond length is 2.13 Å. The Sc(2)-O(21) bond length is 2.28 Å. The Sc(2)-O(24) bond length is 2.27 Å. In the third Sc site, Sc(3) is bonded to one O(14), one O(16), one O(17), one O(19), one O(22), and one O(23) atom to form ScO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(6)O4 tetrahedra,  an edgeedge with one Sc(1)O6 octahedra, and  an edgeedge with one In(1)O6 octahedra. The Sc(3)-O(14) bond length is 2.02 Å. The Sc(3)-O(16) bond length is 2.03 Å. The Sc(3)-O(17) bond length is 2.13 Å. The Sc(3)-O(19) bond length is 2.11 Å. The Sc(3)-O(22) bond length is 2.27 Å. The Sc(3)-O(23) bond length is 2.27 Å. In(1) is bonded to one O(11), one O(17), one O(20), one O(22), one O(24), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one Sc(3)O6 octahedra. The In(1)-O(11) bond length is 2.10 Å. The In(1)-O(17) bond length is 2.27 Å. The In(1)-O(20) bond length is 2.29 Å. The In(1)-O(22) bond length is 2.17 Å. The In(1)-O(24) bond length is 2.17 Å. The In(1)-O(9) bond length is 2.10 Å. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(17), one O(2), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(3)O6 octahedra, corners with two equivalent In(1)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-61°. The Si(1)-O(17) bond length is 1.66 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(7) bond length is 1.65 Å. The Si(1)-O(9) bond length is 1.61 Å. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(18), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with two equivalent Sc(1)O6 octahedra,  a cornercorner with one Si(7)O4 tetrahedra, and  a cornercorner with one Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. The Si(2)-O(1) bond length is 1.65 Å. The Si(2)-O(10) bond length is 1.62 Å. The Si(2)-O(18) bond length is 1.66 Å. The Si(2)-O(8) bond length is 1.65 Å. In the third Si site, Si(3) is bonded to one O(11), one O(19), one O(3), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-60°. The Si(3)-O(11) bond length is 1.61 Å. The Si(3)-O(19) bond length is 1.66 Å. The Si(3)-O(3) bond length is 1.65 Å. The Si(3)-O(5) bond length is 1.65 Å. In the fourth Si site, Si(4) is bonded to one O(12), one O(20), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-61°. The Si(4)-O(12) bond length is 1.62 Å. The Si(4)-O(20) bond length is 1.66 Å. The Si(4)-O(4) bond length is 1.65 Å. The Si(4)-O(6) bond length is 1.65 Å. In the fifth Si site, Si(5) is bonded to one O(13), one O(21), one O(3), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. The Si(5)-O(13) bond length is 1.62 Å. The Si(5)-O(21) bond length is 1.66 Å. The Si(5)-O(3) bond length is 1.65 Å. The Si(5)-O(6) bond length is 1.65 Å. In the sixth Si site, Si(6) is bonded to one O(14), one O(22), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent Sc(3)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. The Si(6)-O(14) bond length is 1.62 Å. The Si(6)-O(22) bond length is 1.66 Å. The Si(6)-O(4) bond length is 1.65 Å. The Si(6)-O(5) bond length is 1.65 Å. In the seventh Si site, Si(7) is bonded to one O(1), one O(15), one O(23), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra,  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. The Si(7)-O(1) bond length is 1.65 Å. The Si(7)-O(15) bond length is 1.62 Å. The Si(7)-O(23) bond length is 1.66 Å. The Si(7)-O(7) bond length is 1.65 Å. In the eighth Si site, Si(8) is bonded to one O(16), one O(2), one O(24), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra,  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. The Si(8)-O(16) bond length is 1.62 Å. The Si(8)-O(2) bond length is 1.65 Å. The Si(8)-O(24) bond length is 1.66 Å. The Si(8)-O(8) bond length is 1.65 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(4) and one Si(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one In(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(3), one Sc(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one In(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(4), one Sc(1), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Sc(2), and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(3), and one Si(6) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Li(1), one Sc(2), and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Sc(3), and one Si(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(2), one Sc(3), one In(1), and one Si(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(2), and one Si(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Sc(1), one Sc(3), and one Si(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(2), one Sc(2), one In(1), and one Si(4) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Sc(1), one Sc(2), and one Si(5) atom. In the twenty-second O site, O(22) is bonded to one Li(3), one Sc(3), one In(1), and one Si(6) atom to form distorted corner-sharing OLiScInSi trigonal pyramids. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Sc(1), one Sc(3), and one Si(7) atom. In the twenty-fourth O site, O(24) is bonded to one Li(4), one Sc(2), one In(1), and one Si(8) atom to form distorted corner-sharing OLiScInSi trigonal pyramids.