Ca5P3O13 crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), and four equivalent O(3) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one P(1) atom. In the third O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one P(1) atom.
Ca5P3O13 crystallizes in the hexagonal P6_3/m space group. There are two 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(2), and three equivalent O(3) atoms. All Ca(1)-O(1) bond lengths are 2.42 Å. All Ca(1)-O(2) bond lengths are 2.46 Å. All Ca(1)-O(3) bond lengths are 2.86 Å. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), and four equivalent O(3) atoms. The Ca(2)-O(1) bond length is 2.81 Å. The Ca(2)-O(2) bond length is 2.41 Å. The Ca(2)-O(4) bond length is 2.36 Å. There are two shorter (2.36 Å) and two longer (2.51 Å) Ca(2)-O(3) bond lengths. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.56 Å. Both P(1)-O(3) bond lengths are 1.55 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one P(1) atom. In the third O site, O(2) is bonded to one Ca(2), two equivalent Ca(1), and one P(1) atom to form distorted edge-sharing OCa3P tetrahedra. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one P(1) atom.