KH2PO4 crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 12-coordinate geometry to two equivalent H(1), four equivalent O(2), and six equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent K(1) and two equivalent O(1) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom.
KH2PO4 crystallizes in the orthorhombic C222_1 space group. K(1) is bonded in a 12-coordinate geometry to two equivalent H(1), four equivalent O(2), and six equivalent O(1) atoms. Both K(1)-H(1) bond lengths are 2.85 Å. There are two shorter (2.81 Å) and two longer (3.02 Å) K(1)-O(2) bond lengths. There are a spread of K(1)-O(1) bond distances ranging from 2.78-3.33 Å. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both P(1)-O(1) bond lengths are 1.56 Å. Both P(1)-O(2) bond lengths are 1.55 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent K(1) and two equivalent O(1) atoms. Both H(1)-O(1) bond lengths are 1.21 Å. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(2) atoms. Both H(2)-O(2) bond lengths are 1.20 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to three equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom.