(KCaPO4)2H2 crystallizes in the monoclinic C2/m space group. The structure consists of four 1333-74-0 atoms inside a KCaPO4 framework. In the KCaPO4 framework, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1) 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 three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Ca(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ca(1), and one P(1) atom.
(KCaPO4)2H2 crystallizes in the monoclinic C2/m space group. The structure consists of four 1333-74-0 atoms inside a KCaPO4 framework. In the KCaPO4 framework, K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Both K(1)-O(1) bond lengths are 3.10 Å. Both K(1)-O(3) bond lengths are 3.03 Å. There are two shorter (2.81 Å) and two longer (2.88 Å) K(1)-O(2) bond lengths. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. Both Ca(1)-O(1) bond lengths are 2.37 Å. There are two shorter (2.30 Å) and two longer (2.54 Å) Ca(1)-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 1.58 Å. The P(1)-O(2) bond length is 1.53 Å. Both P(1)-O(3) bond lengths are 1.57 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Ca(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ca(1), and one P(1) atom.