Ca5P3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the third O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one P(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent Ca(3), and one P(1) atom.
Ca5P3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. All Ca(1)-O(1) bond lengths are 2.46 Å. All Ca(1)-O(3) bond lengths are 2.87 Å. All Ca(1)-O(4) bond lengths are 2.42 Å. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. All Ca(2)-O(1) bond lengths are 2.48 Å. All Ca(2)-O(2) bond lengths are 2.81 Å. All Ca(2)-O(4) bond lengths are 2.43 Å. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. The Ca(3)-O(1) bond length is 2.38 Å. The Ca(3)-O(4) bond length is 2.81 Å. The Ca(3)-O(5) bond length is 2.38 Å. There is one shorter (2.37 Å) and one longer (2.51 Å) Ca(3)-O(2) bond length. There is one shorter (2.36 Å) and one longer (2.49 Å) Ca(3)-O(3) bond length. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.55 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to three equivalent Ca(3) atoms. In the third O site, O(1) is bonded to one Ca(1), one Ca(2), one Ca(3), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one P(1) atom. In the fifth O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent Ca(3), and one P(1) atom.