CsH2F3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one H(1), one H(4), one F(1), one F(2), one F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one Cs(2), one F(2), and one F(5) atom. In the second H site, H(2) is bonded in a linear geometry to one F(1) and one F(3) atom. In the third H site, H(3) is bonded in a linear geometry to one F(2) and one F(4) atom. In the fourth H site, H(4) is bonded in a linear geometry to one Cs(2), one F(1), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one H(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(3) atom. In the third F site, F(5) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(1) atom. In the fourth F site, F(6) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(4) atom. In the fifth F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one H(2), and one H(4) atom. In the sixth F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one H(1), and one H(3) atom.
CsH2F3 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. The Cs(1)-F(1) bond length is 3.05 Å. The Cs(1)-F(2) bond length is 3.03 Å. The Cs(1)-F(4) bond length is 3.13 Å. The Cs(1)-F(5) bond length is 3.07 Å. The Cs(1)-F(6) bond length is 3.03 Å. There is one shorter (3.08 Å) and one longer (3.13 Å) Cs(1)-F(3) bond length. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one H(1), one H(4), one F(1), one F(2), one F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. The Cs(2)-H(1) bond length is 3.00 Å. The Cs(2)-H(4) bond length is 3.13 Å. The Cs(2)-F(1) bond length is 2.98 Å. The Cs(2)-F(2) bond length is 3.27 Å. The Cs(2)-F(3) bond length is 3.07 Å. There is one shorter (3.19 Å) and one longer (3.21 Å) Cs(2)-F(4) bond length. There is one shorter (3.03 Å) and one longer (3.15 Å) Cs(2)-F(5) bond length. There is one shorter (3.02 Å) and one longer (3.13 Å) Cs(2)-F(6) bond length. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one Cs(2), one F(2), and one F(5) atom. The H(1)-F(2) bond length is 1.30 Å. The H(1)-F(5) bond length is 1.02 Å. In the second H site, H(2) is bonded in a linear geometry to one F(1) and one F(3) atom. The H(2)-F(1) bond length is 1.32 Å. The H(2)-F(3) bond length is 1.01 Å. In the third H site, H(3) is bonded in a linear geometry to one F(2) and one F(4) atom. The H(3)-F(2) bond length is 1.34 Å. The H(3)-F(4) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a linear geometry to one Cs(2), one F(1), and one F(6) atom. The H(4)-F(1) bond length is 1.31 Å. The H(4)-F(6) bond length is 1.02 Å. There are six inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one H(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(3) atom. In the third F site, F(5) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(1) atom. In the fourth F site, F(6) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(2), and one H(4) atom. In the fifth F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cs(2), one H(2), and one H(4) atom. In the sixth F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one H(1), and one H(3) atom.