CaU(PO4)2 is Zircon-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. U(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom.
CaU(PO4)2 is Zircon-derived structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. The Ca(1)-O(1) bond length is 2.45 Å. The Ca(1)-O(2) bond length is 2.47 Å. The Ca(1)-O(4) bond length is 2.44 Å. The Ca(1)-O(5) bond length is 2.66 Å. Both Ca(1)-O(3) bond lengths are 2.36 Å. Both Ca(1)-O(6) bond lengths are 2.48 Å. U(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms. The U(1)-O(1) bond length is 2.55 Å. The U(1)-O(2) bond length is 2.38 Å. The U(1)-O(4) bond length is 2.37 Å. The U(1)-O(5) bond length is 2.35 Å. Both U(1)-O(3) bond lengths are 2.43 Å. Both U(1)-O(6) bond lengths are 2.32 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(4), one O(5), and two equivalent O(6) atoms. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.55 Å. Both P(1)-O(6) bond lengths are 1.56 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The P(2)-O(1) bond length is 1.55 Å. The P(2)-O(2) bond length is 1.56 Å. Both P(2)-O(3) bond lengths are 1.56 Å. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one U(1), and one P(2) atom.