Na3CaSc3Zn(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 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(3), 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(4), 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 two equivalent O(1), two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Sc sites. In the first Sc site, 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 Sc(2)O6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(3) atoms to form ScO6 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 Sc site, Sc(3) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form ScO6 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 Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) atoms to form ZnO6 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 Sc(3)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 Sc(3)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. 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 Sc(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(5), and one O(7) 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 Zn(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), 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 Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. 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 Ca(1), one Zn(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(2), one Sc(3), 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(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(2), one Ca(1), one Si(2), and one Si(4) 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 Ca(1), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Sc(3), one Zn(1), 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 Sc(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), one Sc(3), one Zn(1), 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 Sc(2), and one Si(4) atom.
Na3CaSc3Zn(SiO3)8 is Esseneite-derived structured and crystallizes in the monoclinic P2 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(3), two equivalent O(5), and two equivalent O(7) atoms. Both Na(1)-O(10) bond lengths are 2.52 Å. Both Na(1)-O(3) bond lengths are 2.43 Å. Both Na(1)-O(5) bond lengths are 2.50 Å. Both Na(1)-O(7) bond lengths are 2.88 Å. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. Both Na(2)-O(4) bond lengths are 2.42 Å. Both Na(2)-O(6) bond lengths are 2.56 Å. Both Na(2)-O(8) bond lengths are 2.92 Å. Both Na(2)-O(9) bond lengths are 2.46 Å. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(5), and two equivalent O(7) atoms. Both Na(3)-O(1) bond lengths are 2.43 Å. Both Na(3)-O(12) bond lengths are 2.51 Å. Both Na(3)-O(5) bond lengths are 2.87 Å. Both Na(3)-O(7) bond lengths are 2.51 Å. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(11), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. Both Ca(1)-O(11) bond lengths are 2.40 Å. Both Ca(1)-O(2) bond lengths are 2.36 Å. Both Ca(1)-O(6) bond lengths are 2.90 Å. Both Ca(1)-O(8) bond lengths are 2.55 Å. There are three inequivalent Sc sites. In the first Sc site, 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 Sc(2)O6 octahedra. Both Sc(1)-O(1) bond lengths are 2.01 Å. Both Sc(1)-O(10) bond lengths are 2.23 Å. Both Sc(1)-O(12) bond lengths are 2.12 Å. In the second Sc site, Sc(2) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(3) atoms to form ScO6 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 Sc(2)-O(10) bond lengths are 2.12 Å. Both Sc(2)-O(12) bond lengths are 2.23 Å. Both Sc(2)-O(3) bond lengths are 2.02 Å. In the third Sc site, Sc(3) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form ScO6 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 Zn(1)O6 octahedra. Both Sc(3)-O(11) bond lengths are 2.22 Å. Both Sc(3)-O(4) bond lengths are 2.05 Å. Both Sc(3)-O(9) bond lengths are 2.11 Å. Zn(1) is bonded to two equivalent O(11), two equivalent O(2), and two equivalent O(9) atoms to form ZnO6 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 Sc(3)O6 octahedra. Both Zn(1)-O(11) bond lengths are 2.14 Å. Both Zn(1)-O(2) bond lengths are 2.09 Å. Both Zn(1)-O(9) bond lengths are 2.20 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 Sc(3)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. The Si(1)-O(1) bond length is 1.62 Å. The Si(1)-O(5) bond length is 1.67 Å. The Si(1)-O(7) bond length is 1.67 Å. The Si(1)-O(9) bond length is 1.63 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 Sc(2)O6 octahedra,  a cornercorner with one Zn(1)O6 octahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-58°. The Si(2)-O(10) bond length is 1.64 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 1.69 Å. In the third Si site, Si(3) is bonded to one O(11), one O(3), one O(5), and one O(7) 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 Zn(1)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. The Si(3)-O(11) bond length is 1.64 Å. The Si(3)-O(3) bond length is 1.62 Å. The Si(3)-O(5) bond length is 1.67 Å. The Si(3)-O(7) bond length is 1.66 Å. In the fourth Si site, Si(4) is bonded to one O(12), one O(4), 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 Sc(2)O6 octahedra,  a cornercorner with one Sc(3)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. The Si(4)-O(12) bond length is 1.64 Å. The Si(4)-O(4) bond length is 1.61 Å. The Si(4)-O(6) 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 Ca(1), one Zn(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(2), one Sc(3), 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(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(2), one Ca(1), one Si(2), and one Si(4) 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 Ca(1), one Si(2), and one Si(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Sc(3), one Zn(1), 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 Sc(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), one Sc(3), one Zn(1), 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 Sc(2), and one Si(4) atom.