CuTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted linear geometry to one Th(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Th(1), one Cu(1), and one P(1) atom.
CuTh2(PO4)3 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. The Th(1)-O(1) bond length is 2.35 Å. The Th(1)-O(2) bond length is 2.56 Å. The Th(1)-O(4) bond length is 2.31 Å. The Th(1)-O(6) bond length is 2.28 Å. There is one shorter (2.41 Å) and one longer (2.67 Å) Th(1)-O(3) bond length. There is one shorter (2.45 Å) and one longer (2.54 Å) Th(1)-O(5) bond length. Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. Both Cu(1)-O(2) bond lengths are 1.85 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both P(1)-O(1) bond lengths are 1.53 Å. Both P(1)-O(2) bond lengths are 1.57 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.58 Å. The P(2)-O(6) bond length is 1.53 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Th(1) and one P(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one P(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a distorted linear geometry to one Th(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted linear geometry to one Th(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one Th(1), one Cu(1), and one P(1) atom.