Na4ScIn3(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. Sc(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(12) 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 two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) 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(2)O6 octahedra. In the second In site, In(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Sc(1)O6 octahedra, and  an edgeedge with one 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(5), one O(7), 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(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 33-59°. In the second Si site, Si(2) is bonded to one O(10), one O(2), one O(6), and one O(8) 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,  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 36-59°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)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 36-59°. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent In(2)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 36-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(3), one Sc(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(3), one In(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(2), one In(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one In(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one Si(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one In(1), one In(2), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Sc(1), one In(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(3), one In(1), one In(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Sc(1), one In(2), and one Si(4) atom.
Na4ScIn3(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms. Both Na(1)-O(10) bond lengths are 2.53 Å. Both Na(1)-O(4) bond lengths are 2.40 Å. Both Na(1)-O(5) bond lengths are 2.54 Å. Both Na(1)-O(7) bond lengths are 2.97 Å. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. Both Na(2)-O(3) bond lengths are 2.40 Å. Both Na(2)-O(6) bond lengths are 2.54 Å. Both Na(2)-O(8) bond lengths are 2.95 Å. Both Na(2)-O(9) bond lengths are 2.52 Å. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. The Na(3)-O(1) bond length is 2.43 Å. The Na(3)-O(11) bond length is 2.52 Å. The Na(3)-O(12) bond length is 2.53 Å. The Na(3)-O(2) bond length is 2.39 Å. The Na(3)-O(5) bond length is 2.96 Å. The Na(3)-O(6) bond length is 2.95 Å. The Na(3)-O(7) bond length is 2.53 Å. The Na(3)-O(8) bond length is 2.53 Å. Sc(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(12) 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(1) bond lengths are 2.03 Å. Both Sc(1)-O(10) bond lengths are 2.24 Å. Both Sc(1)-O(12) bond lengths are 2.13 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) 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(2)O6 octahedra. Both In(1)-O(11) bond lengths are 2.17 Å. Both In(1)-O(2) bond lengths are 2.11 Å. Both In(1)-O(9) bond lengths are 2.26 Å. In the second In site, In(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(9) atom to form InO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O4 tetrahedra,  an edgeedge with one Sc(1)O6 octahedra, and  an edgeedge with one In(1)O6 octahedra. The In(2)-O(10) bond length is 2.17 Å. The In(2)-O(11) bond length is 2.25 Å. The In(2)-O(12) bond length is 2.26 Å. The In(2)-O(3) bond length is 2.11 Å. The In(2)-O(4) bond length is 2.11 Å. The In(2)-O(9) bond length is 2.18 Å. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(5), one O(7), 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(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 33-59°. The Si(1)-O(1) bond length is 1.61 Å. The Si(1)-O(5) bond length is 1.66 Å. The Si(1)-O(7) bond length is 1.67 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(2), one O(6), and one O(8) 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,  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 36-59°. The Si(2)-O(10) bond length is 1.65 Å. The Si(2)-O(2) bond length is 1.61 Å. The Si(2)-O(6) bond length is 1.67 Å. The Si(2)-O(8) bond length is 1.67 Å. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)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 36-59°. The Si(3)-O(11) bond length is 1.65 Å. The Si(3)-O(3) bond length is 1.61 Å. The Si(3)-O(6) bond length is 1.67 Å. The Si(3)-O(7) bond length is 1.67 Å. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Sc(1)O6 octahedra, corners with two equivalent In(2)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 36-59°. The Si(4)-O(12) bond length is 1.65 Å. The Si(4)-O(4) bond length is 1.61 Å. The Si(4)-O(5) bond length is 1.68 Å. The Si(4)-O(8) bond length is 1.67 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(3), one Sc(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(3), one In(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(2), one In(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1), one In(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one Si(2), and one Si(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(2), one Na(3), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one In(1), one In(2), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Sc(1), one In(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(3), one In(1), one In(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Sc(1), one In(2), and one Si(4) atom.