NaTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Th(1), and one P(2) atom.
NaTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. Both Na(1)-O(1) bond lengths are 2.68 Å. Both Na(1)-O(2) bond lengths are 2.78 Å. Both Na(1)-O(6) bond lengths are 2.91 Å. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The Th(1)-O(1) bond length is 2.41 Å. The Th(1)-O(4) bond length is 2.33 Å. The Th(1)-O(6) bond length is 2.47 Å. There is one shorter (2.50 Å) and one longer (2.68 Å) Th(1)-O(2) bond length. There is one shorter (2.46 Å) and one longer (2.52 Å) Th(1)-O(3) bond length. There is one shorter (2.50 Å) and one longer (2.53 Å) Th(1)-O(5) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.56 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(6) atoms. Both P(2)-O(2) bond lengths are 1.56 Å. Both P(2)-O(6) bond lengths are 1.55 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(1) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Th(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Th(1), and one P(2) atom.