CsH5(PO4)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one H(5), one O(1), one O(2), one O(4), one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Cs(1) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(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 one Cs(1), one P(1), and one H(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one P(2), and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to two equivalent Cs(1), one H(4), and one H(5) atom.
CsH5(PO4)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one H(5), one O(1), one O(2), one O(4), one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms. The Cs(1)-H(5) bond length is 3.30 Å. The Cs(1)-O(1) bond length is 3.25 Å. The Cs(1)-O(2) bond length is 3.18 Å. The Cs(1)-O(4) bond length is 3.36 Å. The Cs(1)-O(5) bond length is 3.52 Å. The Cs(1)-O(7) bond length is 3.25 Å. There is one shorter (3.18 Å) and one longer (3.38 Å) Cs(1)-O(6) bond length. There is one shorter (3.17 Å) and one longer (3.21 Å) Cs(1)-O(8) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.50 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.61 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(4) bond length is 1.64 Å. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.51 Å. The P(2)-O(7) bond length is 1.57 Å. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.07 Å. The H(1)-O(5) bond length is 1.41 Å. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(6) atom. The H(2)-O(3) bond length is 1.06 Å. The H(2)-O(6) bond length is 1.46 Å. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(7) atom. The H(3)-O(2) bond length is 1.49 Å. The H(3)-O(7) bond length is 1.04 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. The H(4)-O(8) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one Cs(1) and one O(8) atom. The H(5)-O(8) bond length is 0.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(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 one Cs(1), one P(1), and one H(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one P(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one P(2), and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cs(1), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to two equivalent Cs(1), one H(4), and one H(5) atom.