Na6Ta3In(SiO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(19), one O(2), one O(20), one O(21), and one O(22) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(23), one O(24), one O(3), and one O(4) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(23), one O(4), one O(5), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(10), one O(16), one O(2), one O(21), one O(6), one O(7), and one O(9) atom. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(15), one O(20), one O(21), one O(7), and one O(9) atom to form TaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the second Ta site, Ta(2) is bonded to one O(10), one O(16), one O(19), one O(2), one O(22), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In the third Ta site, Ta(3) is bonded to one O(11), one O(13), one O(18), one O(23), one O(3), and one O(5) atom to form TaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. In(1) is bonded to one O(12), one O(14), one O(17), one O(24), one O(4), and one O(6) atom to form InO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(21), one O(22), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. In the second Si site, Si(2) is bonded to one O(23), one O(24), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. In the third Si site, Si(3) is bonded to one O(13), one O(17), one O(2), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-40°. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(14), and one O(18) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. In the fifth Si site, Si(5) is bonded to one O(11), one O(15), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-42°. In the sixth Si site, Si(6) is bonded to one O(12), one O(16), one O(20), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ta(1), and one Si(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Ta(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one Ta(3), and one Si(6) atom. In the fourth O site, O(4) is bonded to one Na(2), one Na(4), one Na(5), one In(1), and one Si(5) atom to form a mixture of distorted corner and edge-sharing ONa3InSi trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ta(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(6), one In(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(6), one Ta(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ta(2), and one Si(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(6), one Ta(1), and one Si(3) atom. In the tenth O site, O(10) is bonded to one Na(2), one Na(6), one Ta(2), and one Si(4) atom to form distorted corner-sharing ONa2TaSi trigonal pyramids. In the eleventh O site, O(11) is bonded to one Na(1), one Na(5), one Ta(3), and one Si(5) atom to form distorted edge-sharing ONa2TaSi trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one In(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to one Na(3), one Ta(3), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one In(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Ta(1) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(6), one Ta(2), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(4), one In(1), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Na(4), one Ta(3), and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(3), one Ta(2), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Ta(1), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(6), one Ta(1), and one Si(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ta(2), and one Si(1) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Ta(3), and one Si(2) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Na(2), one Na(4), one In(1), and one Si(2) atom.
Na6Ta3In(SiO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom. The Na(1)-O(1) bond length is 2.61 Å. The Na(1)-O(11) bond length is 2.49 Å. The Na(1)-O(21) bond length is 2.62 Å. The Na(1)-O(23) bond length is 2.48 Å. The Na(1)-O(3) bond length is 2.52 Å. The Na(1)-O(9) bond length is 2.52 Å. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom. The Na(2)-O(10) bond length is 2.61 Å. The Na(2)-O(12) bond length is 2.41 Å. The Na(2)-O(2) bond length is 2.55 Å. The Na(2)-O(22) bond length is 2.59 Å. The Na(2)-O(24) bond length is 2.38 Å. The Na(2)-O(4) bond length is 2.45 Å. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(19), one O(2), one O(20), one O(21), and one O(22) atom. The Na(3)-O(1) bond length is 2.57 Å. The Na(3)-O(13) bond length is 2.98 Å. The Na(3)-O(14) bond length is 2.68 Å. The Na(3)-O(19) bond length is 2.54 Å. The Na(3)-O(2) bond length is 2.45 Å. The Na(3)-O(20) bond length is 2.85 Å. The Na(3)-O(21) bond length is 2.46 Å. The Na(3)-O(22) bond length is 2.73 Å. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(23), one O(24), one O(3), and one O(4) atom. The Na(4)-O(17) bond length is 2.37 Å. The Na(4)-O(18) bond length is 2.79 Å. The Na(4)-O(23) bond length is 2.67 Å. The Na(4)-O(24) bond length is 2.41 Å. The Na(4)-O(3) bond length is 2.44 Å. The Na(4)-O(4) bond length is 2.44 Å. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(14), one O(23), one O(4), one O(5), and one O(8) atom. The Na(5)-O(11) bond length is 2.57 Å. The Na(5)-O(12) bond length is 2.35 Å. The Na(5)-O(14) bond length is 2.40 Å. The Na(5)-O(23) bond length is 2.43 Å. The Na(5)-O(4) bond length is 2.48 Å. The Na(5)-O(5) bond length is 2.83 Å. The Na(5)-O(8) bond length is 3.00 Å. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(10), one O(16), one O(2), one O(21), one O(6), one O(7), and one O(9) atom. The Na(6)-O(10) bond length is 2.44 Å. The Na(6)-O(16) bond length is 2.50 Å. The Na(6)-O(2) bond length is 2.79 Å. The Na(6)-O(21) bond length is 2.63 Å. The Na(6)-O(6) bond length is 2.46 Å. The Na(6)-O(7) bond length is 2.93 Å. The Na(6)-O(9) bond length is 2.45 Å. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(15), one O(20), one O(21), one O(7), and one O(9) atom to form TaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The Ta(1)-O(1) bond length is 2.01 Å. The Ta(1)-O(15) bond length is 1.91 Å. The Ta(1)-O(20) bond length is 1.95 Å. The Ta(1)-O(21) bond length is 2.05 Å. The Ta(1)-O(7) bond length is 1.94 Å. The Ta(1)-O(9) bond length is 2.02 Å. In the second Ta site, Ta(2) is bonded to one O(10), one O(16), one O(19), one O(2), one O(22), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The Ta(2)-O(10) bond length is 2.03 Å. The Ta(2)-O(16) bond length is 2.01 Å. The Ta(2)-O(19) bond length is 1.98 Å. The Ta(2)-O(2) bond length is 2.07 Å. The Ta(2)-O(22) bond length is 1.99 Å. The Ta(2)-O(8) bond length is 1.93 Å. In the third Ta site, Ta(3) is bonded to one O(11), one O(13), one O(18), one O(23), one O(3), and one O(5) atom to form TaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The Ta(3)-O(11) bond length is 2.01 Å. The Ta(3)-O(13) bond length is 1.94 Å. The Ta(3)-O(18) bond length is 2.00 Å. The Ta(3)-O(23) bond length is 2.08 Å. The Ta(3)-O(3) bond length is 2.05 Å. The Ta(3)-O(5) bond length is 1.97 Å. In(1) is bonded to one O(12), one O(14), one O(17), one O(24), one O(4), and one O(6) atom to form InO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra, and  a cornercorner with one Si(6)O4 tetrahedra. The In(1)-O(12) bond length is 2.21 Å. The In(1)-O(14) bond length is 2.19 Å. The In(1)-O(17) bond length is 2.14 Å. The In(1)-O(24) bond length is 2.18 Å. The In(1)-O(4) bond length is 2.27 Å. The In(1)-O(6) bond length is 2.09 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(21), one O(22), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-36°. The Si(1)-O(21) bond length is 1.66 Å. The Si(1)-O(22) bond length is 1.65 Å. The Si(1)-O(5) bond length is 1.66 Å. The Si(1)-O(6) bond length is 1.61 Å. In the second Si site, Si(2) is bonded to one O(23), one O(24), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. The Si(2)-O(23) bond length is 1.66 Å. The Si(2)-O(24) bond length is 1.61 Å. The Si(2)-O(7) bond length is 1.64 Å. The Si(2)-O(8) bond length is 1.67 Å. In the third Si site, Si(3) is bonded to one O(13), one O(17), one O(2), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-40°. The Si(3)-O(13) bond length is 1.67 Å. The Si(3)-O(17) bond length is 1.60 Å. The Si(3)-O(2) bond length is 1.66 Å. The Si(3)-O(9) bond length is 1.65 Å. In the fourth Si site, Si(4) is bonded to one O(1), one O(10), one O(14), and one O(18) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-37°. The Si(4)-O(1) bond length is 1.64 Å. The Si(4)-O(10) bond length is 1.65 Å. The Si(4)-O(14) bond length is 1.62 Å. The Si(4)-O(18) bond length is 1.67 Å. In the fifth Si site, Si(5) is bonded to one O(11), one O(15), one O(19), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-42°. The Si(5)-O(11) bond length is 1.65 Å. The Si(5)-O(15) bond length is 1.64 Å. The Si(5)-O(19) bond length is 1.66 Å. The Si(5)-O(4) bond length is 1.61 Å. In the sixth Si site, Si(6) is bonded to one O(12), one O(16), one O(20), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, and  a cornercorner with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. The Si(6)-O(12) bond length is 1.61 Å. The Si(6)-O(16) bond length is 1.67 Å. The Si(6)-O(20) bond length is 1.64 Å. The Si(6)-O(3) bond length is 1.65 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ta(1), and one Si(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(6), one Ta(2), and one Si(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(4), one Ta(3), and one Si(6) atom. In the fourth O site, O(4) is bonded to one Na(2), one Na(4), one Na(5), one In(1), and one Si(5) atom to form a mixture of distorted corner and edge-sharing ONa3InSi trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ta(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(6), one In(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(6), one Ta(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Ta(2), and one Si(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(6), one Ta(1), and one Si(3) atom. In the tenth O site, O(10) is bonded to one Na(2), one Na(6), one Ta(2), and one Si(4) atom to form distorted corner-sharing ONa2TaSi trigonal pyramids. In the eleventh O site, O(11) is bonded to one Na(1), one Na(5), one Ta(3), and one Si(5) atom to form distorted edge-sharing ONa2TaSi trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(5), one In(1), and one Si(6) atom. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to one Na(3), one Ta(3), and one Si(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one In(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Ta(1) and one Si(5) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(6), one Ta(2), and one Si(6) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(4), one In(1), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Na(4), one Ta(3), and one Si(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(3), one Ta(2), and one Si(5) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Ta(1), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(6), one Ta(1), and one Si(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ta(2), and one Si(1) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Ta(3), and one Si(2) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Na(2), one Na(4), one In(1), and one Si(2) atom.