Na6LaNb3(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 to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom to form distorted NaO6 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,  a cornercorner with one Si(6)O4 tetrahedra,  a faceface with one La(1)O6 octahedra, and  a faceface with one Nb(2)O6 octahedra. 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 4-coordinate geometry to one O(17), 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 6-coordinate geometry to one O(11), one O(12), one O(14), one O(23), one O(4), and one O(5) atom. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(2), one O(6), and one O(9) atom. La(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 distorted LaO6 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,  a cornercorner with one Si(6)O4 tetrahedra, and  a faceface with one Na(2)O6 octahedra. There are three inequivalent Nb sites. In the first Nb site, Nb(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 NbO6 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 Nb site, Nb(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 NbO6 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,  a cornercorner with one Si(6)O4 tetrahedra, and  a faceface with one Na(2)O6 octahedra. In the third Nb site, Nb(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 NbO6 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-59°. 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-51°. 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-49°. 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-48°. 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 Nb(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 Nb(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 Nb(3), and one Si(6) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one La(1), and one Si(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Nb(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(6), one La(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nb(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 Nb(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(6), one Nb(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Nb(3), and one Si(5) atom. 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 La(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 Nb(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 La(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Nb(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 Nb(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 La(1), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Nb(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 Nb(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 Nb(1), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Nb(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 Nb(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 Nb(3), and one Si(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(4), one La(1), and one Si(2) atom.
Na6LaNb3(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 2.68 Å. The Na(1)-O(11) bond length is 2.51 Å. The Na(1)-O(21) bond length is 2.78 Å. The Na(1)-O(23) bond length is 2.43 Å. The Na(1)-O(3) bond length is 2.48 Å. The Na(1)-O(9) bond length is 2.62 Å. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom to form distorted NaO6 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,  a cornercorner with one Si(6)O4 tetrahedra,  a faceface with one La(1)O6 octahedra, and  a faceface with one Nb(2)O6 octahedra. The Na(2)-O(10) bond length is 2.54 Å. The Na(2)-O(12) bond length is 2.53 Å. The Na(2)-O(2) bond length is 2.45 Å. The Na(2)-O(22) bond length is 2.54 Å. The Na(2)-O(24) bond length is 2.44 Å. The Na(2)-O(4) bond length is 2.51 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 2.76 Å. The Na(3)-O(13) bond length is 2.88 Å. The Na(3)-O(14) bond length is 2.74 Å. The Na(3)-O(19) bond length is 2.69 Å. The Na(3)-O(2) bond length is 2.44 Å. The Na(3)-O(20) bond length is 2.95 Å. The Na(3)-O(21) bond length is 2.33 Å. The Na(3)-O(22) bond length is 2.85 Å. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one O(17), one O(23), one O(24), one O(3), and one O(4) atom. The Na(4)-O(17) bond length is 2.38 Å. The Na(4)-O(23) bond length is 2.86 Å. The Na(4)-O(24) bond length is 2.46 Å. The Na(4)-O(3) bond length is 2.45 Å. The Na(4)-O(4) bond length is 2.47 Å. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(23), one O(4), and one O(5) atom. The Na(5)-O(11) bond length is 2.77 Å. The Na(5)-O(12) bond length is 2.35 Å. The Na(5)-O(14) bond length is 2.37 Å. The Na(5)-O(23) bond length is 2.37 Å. The Na(5)-O(4) bond length is 2.63 Å. The Na(5)-O(5) bond length is 2.89 Å. In the sixth Na site, Na(6) is bonded in a 4-coordinate geometry to one O(10), one O(16), one O(2), one O(6), and one O(9) atom. The Na(6)-O(10) bond length is 2.41 Å. The Na(6)-O(16) bond length is 2.51 Å. The Na(6)-O(2) bond length is 2.85 Å. The Na(6)-O(6) bond length is 2.38 Å. The Na(6)-O(9) bond length is 2.39 Å. La(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 distorted LaO6 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,  a cornercorner with one Si(6)O4 tetrahedra, and  a faceface with one Na(2)O6 octahedra. The La(1)-O(12) bond length is 2.46 Å. The La(1)-O(14) bond length is 2.39 Å. The La(1)-O(17) bond length is 2.33 Å. The La(1)-O(24) bond length is 2.38 Å. The La(1)-O(4) bond length is 2.51 Å. The La(1)-O(6) bond length is 2.28 Å. There are three inequivalent Nb sites. In the first Nb site, Nb(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 NbO6 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 Nb(1)-O(1) bond length is 2.01 Å. The Nb(1)-O(15) bond length is 1.91 Å. The Nb(1)-O(20) bond length is 1.95 Å. The Nb(1)-O(21) bond length is 2.06 Å. The Nb(1)-O(7) bond length is 1.96 Å. The Nb(1)-O(9) bond length is 2.04 Å. In the second Nb site, Nb(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 NbO6 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,  a cornercorner with one Si(6)O4 tetrahedra, and  a faceface with one Na(2)O6 octahedra. The Nb(2)-O(10) bond length is 2.06 Å. The Nb(2)-O(16) bond length is 2.04 Å. The Nb(2)-O(19) bond length is 1.99 Å. The Nb(2)-O(2) bond length is 2.12 Å. The Nb(2)-O(22) bond length is 2.00 Å. The Nb(2)-O(8) bond length is 1.95 Å. In the third Nb site, Nb(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 NbO6 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 Nb(3)-O(11) bond length is 2.01 Å. The Nb(3)-O(13) bond length is 1.97 Å. The Nb(3)-O(18) bond length is 2.03 Å. The Nb(3)-O(23) bond length is 2.13 Å. The Nb(3)-O(3) bond length is 2.08 Å. The Nb(3)-O(5) bond length is 1.98 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-59°. The Si(1)-O(21) bond length is 1.64 Å. The Si(1)-O(22) bond length is 1.65 Å. The Si(1)-O(5) bond length is 1.67 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-51°. The Si(2)-O(23) bond length is 1.65 Å. The Si(2)-O(24) bond length is 1.61 Å. The Si(2)-O(7) bond length is 1.62 Å. The Si(2)-O(8) bond length is 1.69 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-49°. The Si(3)-O(13) bond length is 1.70 Å. The Si(3)-O(17) bond length is 1.60 Å. The Si(3)-O(2) bond length is 1.65 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. The Si(4)-O(1) bond length is 1.64 Å. The Si(4)-O(10) bond length is 1.64 Å. The Si(4)-O(14) bond length is 1.62 Å. The Si(4)-O(18) bond length is 1.69 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-43°. The Si(5)-O(11) bond length is 1.65 Å. The Si(5)-O(15) bond length is 1.63 Å. The Si(5)-O(19) bond length is 1.67 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 Na(2)O6 octahedra,  a cornercorner with one La(1)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, and  a cornercorner with one Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-48°. The Si(6)-O(12) bond length is 1.61 Å. The Si(6)-O(16) bond length is 1.68 Å. The Si(6)-O(20) bond length is 1.63 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 Nb(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 Nb(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 Nb(3), and one Si(6) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one La(1), and one Si(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Na(5), one Nb(3), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(6), one La(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nb(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 Nb(1), and one Si(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Na(2), one Na(6), one Nb(2), and one Si(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Nb(3), and one Si(5) atom. 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 La(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 Nb(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 La(1), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Nb(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 Nb(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 La(1), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Nb(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 Nb(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 Nb(1), and one Si(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Nb(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 Nb(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 Nb(3), and one Si(2) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(4), one La(1), and one Si(2) atom.