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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) September 25, 2009

The crystal structures of two hydrogen monofluorophosphates: CsHPO3F and Cs3(NH4)2(HPO3F)3(PO3F)

  • Erhard Kemnitz , Hillary A. Prescott and Sergey I. Troyanov

The crystal structures of two new hydrogen monofluorophosphates, CsHPO3F and Cs3(NH4)2(HPO3F)3(PO3F), have been determined at 180 K. The crystals of CsHPO3F are monoclinic, space group C2/m, with the unit cell dimensions of a = 14.478(5) Å, b = 5.929(2) Å, c = 5.413(2) Å, β= 103.30(3)°, V = 452.2(3) Å3, and Z = 4, R1 = 0.0155 and wR2 = 0.0378. Cs3(NH4)2(HPO3F)3(PO3F) crystallizes in the monoclinic space group P21/c, with a = 20.619(4) Å, b = 12.076(2) Å, c = 15.856(3) Å, β= 102.58(2)°, V = 3853(1) Å3, and Z = 8, R1 = 0.0455 and wR2 = 0.0976. In the structure of CsHPO3F, two symmetrically disordered hydrogen bonds (2.527(2) Å) connect two HPO3F units to form closed dimers. Cs3(NH4)2(HPO3F)3(PO3F) contains a complex hydrogen bond network (N-H···O and O-H···O) with two different types of P tetrahedra, PO3F and HPO3F. The structure contains a complex network of hydrogen bonds. Units of 2NH4 and PO3F (I) and Cs and HPO3F (II) are found in and around planes parallel to (x0z). Fluorine is not involved in the hydrogen bonding in either of the structures.

Published Online: 2009-9-25
Published in Print: 2000-4-1

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