KPH3O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent F(1) 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 three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one F(1) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one P(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom.
KPH3O4F crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. The K(1)-O(2) bond length is 2.87 Å. There is one shorter (2.87 Å) and one longer (2.93 Å) K(1)-O(1) bond length. There is one shorter (2.94 Å) and one longer (3.17 Å) K(1)-O(3) bond length. There is one shorter (2.84 Å) and one longer (2.93 Å) K(1)-O(4) bond length. There is one shorter (2.60 Å) and one longer (2.68 Å) K(1)-F(1) 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 1.51 Å. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.57 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one F(1) atom. The H(1)-O(1) bond length is 1.37 Å. The H(1)-F(1) bond length is 1.02 Å. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(4) atom. The H(2)-O(2) bond length is 1.48 Å. The H(2)-O(4) bond length is 1.02 Å. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(3) atom. The H(3)-O(2) bond length is 1.53 Å. The H(3)-O(3) bond length is 1.01 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one P(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one P(1), and one H(2) atom. F(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom.