Th2BPO8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Th site, Th(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), two equivalent O(3), and two equivalent O(8) atoms. B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Th(2) and one P(1) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one P(1) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Th(1), two equivalent Th(2), and one P(1) atom. In the fifth O site, O(1) is bonded in a 1-coordinate geometry to one Th(1), one Th(2), and one B(1) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Th(2), two equivalent Th(1), and one B(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Th(1), two equivalent Th(2), and one B(1) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one Th(2), two equivalent Th(1), and one B(1) atom.
Th2BPO8 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Th(1)-O(1) bond length is 2.24 Å. The Th(1)-O(3) bond length is 2.76 Å. The Th(1)-O(7) bond length is 2.68 Å. The Th(1)-O(8) bond length is 2.72 Å. There is one shorter (2.44 Å) and one longer (2.68 Å) Th(1)-O(2) bond length. There is one shorter (2.49 Å) and one longer (2.57 Å) Th(1)-O(4) bond length. There is one shorter (2.51 Å) and one longer (2.80 Å) Th(1)-O(5) bond length. In the second Th site, Th(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), two equivalent O(3), and two equivalent O(8) atoms. The Th(2)-O(1) bond length is 2.54 Å. The Th(2)-O(2) bond length is 2.38 Å. The Th(2)-O(4) bond length is 2.39 Å. The Th(2)-O(6) bond length is 2.39 Å. The Th(2)-O(7) bond length is 2.49 Å. There is one shorter (2.41 Å) and one longer (2.47 Å) Th(2)-O(3) bond length. There is one shorter (2.65 Å) and one longer (2.84 Å) Th(2)-O(8) bond length. B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The B(1)-O(1) bond length is 1.46 Å. The B(1)-O(2) bond length is 1.50 Å. The B(1)-O(3) bond length is 1.48 Å. The B(1)-O(4) bond length is 1.49 Å. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.57 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Th(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Th(2) and one P(1) atom. In the third O site, O(7) is bonded in a distorted single-bond geometry to one Th(1), one Th(2), and one P(1) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Th(1), two equivalent Th(2), and one P(1) atom. In the fifth O site, O(1) is bonded in a 1-coordinate geometry to one Th(1), one Th(2), and one B(1) atom. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Th(2), two equivalent Th(1), and one B(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Th(1), two equivalent Th(2), and one B(1) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one Th(2), two equivalent Th(1), and one B(1) atom.