Na2Th(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(15), one O(2), one O(4), one O(6), one O(8), two equivalent O(7), and two equivalent O(9) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(3), one O(5), one O(6), and one O(7) atom. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(15), one O(4), and one O(5) atom. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(15), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(16), one O(4), one O(5), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(12), one O(13), one O(15), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(16), one O(3), and one O(5) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(4), and one O(9) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(7), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Th(2), and one P(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Na(2), one Th(1), and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(3), one Th(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), one Na(4), one Th(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Th(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Th(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Na(3), two equivalent Na(2), one Th(1), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Na(1), one Th(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(2), one Th(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Na(4), two equivalent Na(1), one Th(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(1), one Na(4), one Th(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Th(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(4), one Th(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Na(1), one Th(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Na(2), one Na(4), one Th(1), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(3), one Th(2), and one P(2) atom.
Na2Th(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms. The Na(1)-O(1) bond length is 2.46 Å. The Na(1)-O(11) bond length is 2.93 Å. The Na(1)-O(14) bond length is 2.42 Å. The Na(1)-O(9) bond length is 2.68 Å. There is one shorter (2.58 Å) and one longer (2.77 Å) Na(1)-O(10) bond length. There is one shorter (2.72 Å) and one longer (2.81 Å) Na(1)-O(8) bond length. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(15), one O(2), one O(4), one O(6), one O(8), two equivalent O(7), and two equivalent O(9) atoms. The Na(2)-O(15) bond length is 3.00 Å. The Na(2)-O(2) bond length is 2.45 Å. The Na(2)-O(4) bond length is 2.85 Å. The Na(2)-O(6) bond length is 2.44 Å. The Na(2)-O(8) bond length is 2.73 Å. There is one shorter (2.50 Å) and one longer (2.81 Å) Na(2)-O(7) bond length. There is one shorter (2.62 Å) and one longer (2.86 Å) Na(2)-O(9) bond length. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(3), one O(5), one O(6), and one O(7) atom. The Na(3)-O(12) bond length is 2.43 Å. The Na(3)-O(16) bond length is 2.63 Å. The Na(3)-O(3) bond length is 2.72 Å. The Na(3)-O(5) bond length is 2.55 Å. The Na(3)-O(6) bond length is 2.38 Å. The Na(3)-O(7) bond length is 2.82 Å. In the fourth Na site, Na(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(15), one O(4), and one O(5) atom. The Na(4)-O(1) bond length is 2.40 Å. The Na(4)-O(10) bond length is 2.92 Å. The Na(4)-O(11) bond length is 2.94 Å. The Na(4)-O(12) bond length is 2.58 Å. The Na(4)-O(13) bond length is 2.65 Å. The Na(4)-O(15) bond length is 2.78 Å. The Na(4)-O(4) bond length is 3.02 Å. The Na(4)-O(5) bond length is 2.42 Å. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(15), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. The Th(1)-O(10) bond length is 2.45 Å. The Th(1)-O(14) bond length is 2.62 Å. The Th(1)-O(15) bond length is 2.35 Å. The Th(1)-O(2) bond length is 2.69 Å. The Th(1)-O(3) bond length is 2.33 Å. The Th(1)-O(7) bond length is 2.45 Å. The Th(1)-O(8) bond length is 2.40 Å. The Th(1)-O(9) bond length is 2.42 Å. In the second Th site, Th(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(16), one O(4), one O(5), and one O(6) atom. The Th(2)-O(1) bond length is 2.56 Å. The Th(2)-O(11) bond length is 2.43 Å. The Th(2)-O(12) bond length is 2.57 Å. The Th(2)-O(13) bond length is 2.35 Å. The Th(2)-O(16) bond length is 2.35 Å. The Th(2)-O(4) bond length is 2.41 Å. The Th(2)-O(5) bond length is 2.56 Å. The Th(2)-O(6) bond length is 2.56 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(12), one O(13), one O(15), and one O(6) atom. The P(1)-O(12) bond length is 1.56 Å. The P(1)-O(13) bond length is 1.55 Å. The P(1)-O(15) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.56 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(16), one O(3), and one O(5) atom. The P(2)-O(1) bond length is 1.55 Å. The P(2)-O(16) bond length is 1.55 Å. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.55 Å. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(4), and one O(9) atom. The P(3)-O(10) bond length is 1.55 Å. The P(3)-O(14) bond length is 1.56 Å. The P(3)-O(4) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.56 Å. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(7), and one O(8) atom. The P(4)-O(11) bond length is 1.54 Å. The P(4)-O(2) bond length is 1.57 Å. The P(4)-O(7) bond length is 1.55 Å. The P(4)-O(8) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Th(2), and one P(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Na(2), one Th(1), and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(3), one Th(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), one Na(4), one Th(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Th(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Th(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Na(3), two equivalent Na(2), one Th(1), and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Na(1), one Th(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(2), one Th(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Na(4), two equivalent Na(1), one Th(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(1), one Na(4), one Th(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Th(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Na(4), one Th(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Na(1), one Th(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Na(2), one Na(4), one Th(1), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(3), one Th(2), and one P(2) atom.