Na3TaZnSi2SO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Ta(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. S(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Zn(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Ta(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Ta(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Zn(1), and one Si(2) atom to form distorted face-sharing ONa3ZnSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Zn(1), and one Si(1) atom to form distorted face-sharing ONa2ZnSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Zn(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ta(1), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ta(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Ta(1), and one Si(2) atom.
Na3TaZnSi2SO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. The Na(1)-O(1) bond length is 2.65 Å. The Na(1)-O(10) bond length is 2.93 Å. The Na(1)-O(11) bond length is 2.46 Å. The Na(1)-O(3) bond length is 2.81 Å. The Na(1)-O(7) bond length is 2.31 Å. The Na(1)-O(9) bond length is 2.45 Å. There is one shorter (2.82 Å) and one longer (2.91 Å) Na(1)-O(5) bond length. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(7), and one O(8) atom. The Na(2)-O(10) bond length is 2.59 Å. The Na(2)-O(12) bond length is 2.56 Å. The Na(2)-O(2) bond length is 2.40 Å. The Na(2)-O(4) bond length is 2.81 Å. The Na(2)-O(7) bond length is 2.40 Å. The Na(2)-O(8) bond length is 2.38 Å. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. The Na(3)-O(10) bond length is 2.83 Å. The Na(3)-O(11) bond length is 2.70 Å. The Na(3)-O(12) bond length is 2.62 Å. The Na(3)-O(7) bond length is 2.36 Å. The Na(3)-O(8) bond length is 2.32 Å. The Na(3)-O(9) bond length is 2.73 Å. Ta(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. The Ta(1)-O(10) bond length is 2.11 Å. The Ta(1)-O(11) bond length is 2.03 Å. The Ta(1)-O(12) bond length is 1.99 Å. The Ta(1)-O(4) bond length is 1.93 Å. The Ta(1)-O(5) bond length is 1.99 Å. The Ta(1)-O(6) bond length is 2.05 Å. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. The Zn(1)-O(1) bond length is 2.42 Å. The Zn(1)-O(2) bond length is 1.93 Å. The Zn(1)-O(3) bond length is 1.89 Å. The Zn(1)-O(7) bond length is 2.13 Å. The Zn(1)-O(8) bond length is 2.00 Å. The Zn(1)-O(9) bond length is 2.46 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. The Si(1)-O(11) bond length is 1.69 Å. The Si(1)-O(2) bond length is 1.60 Å. The Si(1)-O(5) bond length is 1.73 Å. The Si(1)-O(8) bond length is 1.60 Å. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. The Si(2)-O(12) bond length is 1.69 Å. The Si(2)-O(3) bond length is 1.58 Å. The Si(2)-O(4) bond length is 1.71 Å. The Si(2)-O(7) bond length is 1.63 Å. S(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. The S(1)-O(1) bond length is 1.45 Å. The S(1)-O(10) bond length is 1.54 Å. The S(1)-O(6) bond length is 1.53 Å. The S(1)-O(9) bond length is 1.45 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Zn(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Ta(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Ta(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Zn(1), and one Si(2) atom to form distorted face-sharing ONa3ZnSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Zn(1), and one Si(1) atom to form distorted face-sharing ONa2ZnSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Zn(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ta(1), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ta(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Ta(1), and one Si(2) atom.