Na3BPbP4O16 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(16), one O(2), one O(23), one O(24), one O(26), one O(31), and one O(32) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(13), one O(21), one O(22), one O(28), one O(29), one O(30), and one O(4) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(11), one O(19), one O(20), one O(27), one O(28), one O(29), and one O(5) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(12), one O(19), one O(20), one O(27), one O(28), one O(30), and one O(6) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(17), one O(18), one O(25), one O(26), one O(31), and one O(7) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(25), one O(26), one O(32), one O(8), and one O(9) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(10), one O(15), one O(16), and one O(9) atom to form BO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. In the second B site, B(2) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form BO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(15), one O(23), one O(24), one O(25), one O(31), and one O(32) atom. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(14), one O(21), one O(22), one O(27), one O(29), one O(3), and one O(30) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(18), one O(26), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(17), one O(25), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(2), one O(20), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(19), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(13), one O(22), one O(30), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(14), one O(21), one O(29), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(15), one O(24), one O(32), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(16), one O(23), one O(31), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(3) and one P(8) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(4) and one P(7) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Na(5) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(6) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Na(6), one B(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(5), one B(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Na(3), one B(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(4), one B(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(2), one B(2), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one B(2), one Pb(2), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one B(1), one Pb(1), and one P(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one P(8) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Na(5), one Na(6), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Na(3), one Na(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Na(2), one Pb(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Na(2), one Pb(2), and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Na(1), one Pb(1), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Na(1), one Pb(1), and one P(7) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Pb(1), and one P(2) atom. In the twenty-sixth O site, O(26) is bonded in a distorted tetrahedral geometry to one Na(1), one Na(5), one Na(6), and one P(1) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Pb(2), and one P(4) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(4), and one P(3) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Pb(2), and one P(6) atom. In the thirtieth O site, O(30) is bonded in a distorted single-bond geometry to one Na(2), one Na(4), one Pb(2), and one P(5) atom. In the thirty-first O site, O(31) is bonded in a distorted single-bond geometry to one Na(1), one Na(5), one Pb(1), and one P(8) atom. In the thirty-second O site, O(32) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Pb(1), and one P(7) atom.
Na3BPbP4O16 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(16), one O(2), one O(23), one O(24), one O(26), one O(31), and one O(32) atom. The Na(1)-O(16) bond length is 2.64 Å. The Na(1)-O(2) bond length is 2.35 Å. The Na(1)-O(23) bond length is 2.87 Å. The Na(1)-O(24) bond length is 2.40 Å. The Na(1)-O(26) bond length is 2.60 Å. The Na(1)-O(31) bond length is 2.78 Å. The Na(1)-O(32) bond length is 2.48 Å. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(13), one O(21), one O(22), one O(28), one O(29), one O(30), and one O(4) atom. The Na(2)-O(13) bond length is 2.63 Å. The Na(2)-O(21) bond length is 2.41 Å. The Na(2)-O(22) bond length is 2.87 Å. The Na(2)-O(28) bond length is 2.62 Å. The Na(2)-O(29) bond length is 2.49 Å. The Na(2)-O(30) bond length is 2.76 Å. The Na(2)-O(4) bond length is 2.38 Å. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(11), one O(19), one O(20), one O(27), one O(28), one O(29), and one O(5) atom. The Na(3)-O(11) bond length is 2.73 Å. The Na(3)-O(19) bond length is 2.46 Å. The Na(3)-O(20) bond length is 2.78 Å. The Na(3)-O(27) bond length is 2.55 Å. The Na(3)-O(28) bond length is 2.67 Å. The Na(3)-O(29) bond length is 2.68 Å. The Na(3)-O(5) bond length is 2.35 Å. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(12), one O(19), one O(20), one O(27), one O(28), one O(30), and one O(6) atom. The Na(4)-O(12) bond length is 2.69 Å. The Na(4)-O(19) bond length is 2.83 Å. The Na(4)-O(20) bond length is 2.45 Å. The Na(4)-O(27) bond length is 2.71 Å. The Na(4)-O(28) bond length is 2.45 Å. The Na(4)-O(30) bond length is 2.68 Å. The Na(4)-O(6) bond length is 2.38 Å. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(17), one O(18), one O(25), one O(26), one O(31), and one O(7) atom. The Na(5)-O(10) bond length is 2.68 Å. The Na(5)-O(17) bond length is 2.85 Å. The Na(5)-O(18) bond length is 2.49 Å. The Na(5)-O(25) bond length is 2.75 Å. The Na(5)-O(26) bond length is 2.50 Å. The Na(5)-O(31) bond length is 2.64 Å. The Na(5)-O(7) bond length is 2.34 Å. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(25), one O(26), one O(32), one O(8), and one O(9) atom. The Na(6)-O(17) bond length is 2.44 Å. The Na(6)-O(18) bond length is 2.76 Å. The Na(6)-O(25) bond length is 2.51 Å. The Na(6)-O(26) bond length is 2.66 Å. The Na(6)-O(32) bond length is 2.72 Å. The Na(6)-O(8) bond length is 2.37 Å. The Na(6)-O(9) bond length is 2.73 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(10), one O(15), one O(16), and one O(9) atom to form BO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The B(1)-O(10) bond length is 1.48 Å. The B(1)-O(15) bond length is 1.49 Å. The B(1)-O(16) bond length is 1.48 Å. The B(1)-O(9) bond length is 1.47 Å. In the second B site, B(2) is bonded to one O(11), one O(12), one O(13), and one O(14) atom to form BO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The B(2)-O(11) bond length is 1.47 Å. The B(2)-O(12) bond length is 1.48 Å. The B(2)-O(13) bond length is 1.48 Å. The B(2)-O(14) bond length is 1.49 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(15), one O(23), one O(24), one O(25), one O(31), and one O(32) atom. The Pb(1)-O(1) bond length is 2.41 Å. The Pb(1)-O(15) bond length is 2.76 Å. The Pb(1)-O(23) bond length is 2.51 Å. The Pb(1)-O(24) bond length is 2.76 Å. The Pb(1)-O(25) bond length is 2.61 Å. The Pb(1)-O(31) bond length is 2.48 Å. The Pb(1)-O(32) bond length is 2.62 Å. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one O(14), one O(21), one O(22), one O(27), one O(29), one O(3), and one O(30) atom. The Pb(2)-O(14) bond length is 2.78 Å. The Pb(2)-O(21) bond length is 2.77 Å. The Pb(2)-O(22) bond length is 2.49 Å. The Pb(2)-O(27) bond length is 2.61 Å. The Pb(2)-O(29) bond length is 2.62 Å. The Pb(2)-O(3) bond length is 2.39 Å. The Pb(2)-O(30) bond length is 2.47 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(18), one O(26), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. The P(1)-O(18) bond length is 1.54 Å. The P(1)-O(26) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(9) bond length is 1.59 Å. In the second P site, P(2) is bonded to one O(10), one O(17), one O(25), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. The P(2)-O(10) bond length is 1.60 Å. The P(2)-O(17) bond length is 1.53 Å. The P(2)-O(25) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(11), one O(2), one O(20), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. The P(3)-O(11) bond length is 1.60 Å. The P(3)-O(2) bond length is 1.53 Å. The P(3)-O(20) bond length is 1.54 Å. The P(3)-O(28) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(19), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. The P(4)-O(1) bond length is 1.54 Å. The P(4)-O(12) bond length is 1.59 Å. The P(4)-O(19) bond length is 1.53 Å. The P(4)-O(27) bond length is 1.55 Å. In the fifth P site, P(5) is bonded to one O(13), one O(22), one O(30), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. The P(5)-O(13) bond length is 1.59 Å. The P(5)-O(22) bond length is 1.54 Å. The P(5)-O(30) bond length is 1.55 Å. The P(5)-O(7) bond length is 1.52 Å. In the sixth P site, P(6) is bonded to one O(14), one O(21), one O(29), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra. The P(6)-O(14) bond length is 1.60 Å. The P(6)-O(21) bond length is 1.53 Å. The P(6)-O(29) bond length is 1.54 Å. The P(6)-O(8) bond length is 1.53 Å. In the seventh P site, P(7) is bonded to one O(15), one O(24), one O(32), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. The P(7)-O(15) bond length is 1.61 Å. The P(7)-O(24) bond length is 1.53 Å. The P(7)-O(32) bond length is 1.54 Å. The P(7)-O(6) bond length is 1.53 Å. In the eighth P site, P(8) is bonded to one O(16), one O(23), one O(31), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra. The P(8)-O(16) bond length is 1.59 Å. The P(8)-O(23) bond length is 1.54 Å. The P(8)-O(31) bond length is 1.55 Å. The P(8)-O(5) bond length is 1.53 Å. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(3) and one P(8) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(4) and one P(7) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Na(5) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(6) and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Na(6), one B(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(5), one B(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Na(3), one B(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(4), one B(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(2), one B(2), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one B(2), one Pb(2), and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one B(1), one Pb(1), and one P(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one P(8) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one Na(5), one Na(6), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to one Na(3), one Na(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Na(2), one Pb(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Na(2), one Pb(2), and one P(5) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Na(1), one Pb(1), and one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one Na(1), one Pb(1), and one P(7) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Pb(1), and one P(2) atom. In the twenty-sixth O site, O(26) is bonded in a distorted tetrahedral geometry to one Na(1), one Na(5), one Na(6), and one P(1) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Pb(2), and one P(4) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(4), and one P(3) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Pb(2), and one P(6) atom. In the thirtieth O site, O(30) is bonded in a distorted single-bond geometry to one Na(2), one Na(4), one Pb(2), and one P(5) atom. In the thirty-first O site, O(31) is bonded in a distorted single-bond geometry to one Na(1), one Na(5), one Pb(1), and one P(8) atom. In the thirty-second O site, O(32) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Pb(1), and one P(7) atom.