KH2PO4 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), 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(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one P(1) and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom.
KH2PO4 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. The K(1)-O(1) bond length is 2.80 Å. There is one shorter (2.80 Å) and one longer (2.91 Å) K(1)-O(3) bond length. There is one shorter (2.75 Å) and one longer (2.79 Å) K(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 1.62 Å. The P(1)-O(2) bond length is 1.65 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(4) bond length is 1.51 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 1.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one P(1) and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom.