HYDROGEN SULFATES WITH DISORDERED HYDROGE N-ATOMS - SYNTHESIS AND STRUCTURE OF LI[H(HSO4)(2)](H2SO4)(2) AND REFINEMENT OF THE STRUCTURE OF ALPHA-NAHSO4
C. Werner et al., HYDROGEN SULFATES WITH DISORDERED HYDROGE N-ATOMS - SYNTHESIS AND STRUCTURE OF LI[H(HSO4)(2)](H2SO4)(2) AND REFINEMENT OF THE STRUCTURE OF ALPHA-NAHSO4, Zeitschrift fur anorganische und allgemeine Chemie, 622(2), 1996, pp. 337-342
Citations number
18
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Zeitschrift fur anorganische und allgemeine Chemie
The structure of Li[H(HSO4)(2)](H2SO4)(2) has been determined for the
first time whereas the structure of alpha-NaHSO4 has been refined, so
that direct determination of the hydrogen positions was possible. Both
compounds crystallize triclinic in the space group P (1) over bar wit
h the lattice constants a = 6.708(2), b = 6.995(1), c = 7.114(1) Angst
rom, alpha = 75.53(1), beta = 84.09(2) and gamma = 87.57(2)degrees (Z
= 4) for alpha-NaHSO4 and a = 4.915(1), b = 7.313(1), c = 8.346(2) Ang
strom, alpha = 82.42(3), beta = 86.10(3) and gamma = 80.93(3)degrees (
Z = 1) for Li[H(HSO4)(2)](H2SO4)(2). In both compounds there are disor
dered hydrogen positions. In the structure of alpha-NaHSO4 there are t
wo crystallographically different HSO4- tetrahedra and two different c
oordinated Na atoms. The system of hydrogen bonds can be described by
chains in [0-11] direction. The disordering of the H atoms reduces the
differences between the S-O and S-OH distances (1.45 and 1.50 Angstro
m) while in the ordered HSO4 unit ''regular'' bond lengths are observe
d (1.45 und 1,57 Angstrom). In the structure of Li[H(HSO4)(2)](H2SO4)(
2) there are two crystallographically different SO4-tetrahedra. The fi
rst one belongs to the [H(HSO4)(2)](-) unit while the second one repre
sents H2SO4 molecules. The H atom which is located nearby the symmetry
centre and connects two HSO4 units by a short O...O distance of 2.44
Angstrom. Li is located on a symmetry centre and is slightly distorted
octahedrally coordinated by oxygen atoms of six different SO4 tetrahe
dra. The system of hydrogen bonds can be regarded as consisting of dou
ble layers parallel to the xy-plane.