CaTh(PO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(8) atoms. Th(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), two equivalent O(2), and two equivalent O(7) 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(6), and one O(7) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Th(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one Th(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Th(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Th(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Th(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Th(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Th(1), and one P(2) atom.
CaTh(PO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), and two equivalent O(8) atoms. The Ca(1)-O(3) bond length is 2.51 Å. The Ca(1)-O(4) bond length is 2.44 Å. The Ca(1)-O(5) bond length is 2.47 Å. The Ca(1)-O(6) bond length is 2.50 Å. The Ca(1)-O(7) bond length is 2.93 Å. There is one shorter (2.44 Å) and one longer (2.53 Å) Ca(1)-O(1) bond length. There is one shorter (2.55 Å) and one longer (2.67 Å) Ca(1)-O(8) bond length. Th(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), two equivalent O(2), and two equivalent O(7) atoms. The Th(1)-O(1) bond length is 2.94 Å. The Th(1)-O(3) bond length is 2.41 Å. The Th(1)-O(4) bond length is 2.48 Å. The Th(1)-O(5) bond length is 2.49 Å. The Th(1)-O(6) bond length is 2.41 Å. The Th(1)-O(8) bond length is 2.65 Å. There is one shorter (2.44 Å) and one longer (2.60 Å) Th(1)-O(2) bond length. There is one shorter (2.51 Å) and one longer (2.64 Å) Th(1)-O(7) 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(6), and one O(7) atom. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.57 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(5), and one O(8) atom. The P(2)-O(2) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Th(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one Th(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Th(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Th(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Th(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Th(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ca(1), one Th(1), and one P(2) atom.