CaP(HO3)2 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) 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 two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one P(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ca(1) atom.
CaP(HO3)2 crystallizes in the monoclinic Cc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. The Ca(1)-O(1) bond length is 2.82 Å. The Ca(1)-O(3) bond length is 2.67 Å. The Ca(1)-O(5) bond length is 2.37 Å. The Ca(1)-O(6) bond length is 2.68 Å. Both Ca(1)-O(2) bond lengths are 2.43 Å. There is one shorter (2.30 Å) and one longer (2.46 Å) Ca(1)-O(4) 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 1.60 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.52 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one O(5) atom. The H(1)-O(3) bond length is 1.71 Å. The H(1)-O(5) bond length is 0.99 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. The H(2)-O(3) bond length is 1.67 Å. The H(2)-O(5) bond length is 1.00 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one P(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ca(1) atom.