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@MISC{Oh:866415,
author = {Oh, In-Hwan and Sohn, Yoo Jung and Meven, Martin and Heger,
Gernot},
title = {{S}ymmetrical {H}ydrogen {B}ond in ${SO}_{4}$
$–{H}–{SO}_{4}$ {D}imer in ${K}_{3}{H}({SO}_{4})_{2}$ by
{N}eutron {D}iffraction},
journal = {Journal of the Physical Society of Japan},
volume = {88},
number = {12},
issn = {1347-4073},
address = {Tokyo},
publisher = {The Physical Society of Japan},
reportid = {FZJ-2019-05566},
pages = {124601 -},
year = {2019},
abstract = {The hydrogen bond in K3H(SO4)2 was investigated using a
neutron single crystal diffraction technique at room
temperature and 2.3 K. The title compound crystallizes in
the monoclinc space group A12/a1 (No. 15) and SO4 dimers are
linked by symmetrical hydrogen bonds. Down to 2.3 K no
evidence for the structural phase transition was observed,
although the mineral letovicite (NH4)3H(SO4)2 shows various
phase transitions at low temperatures owing to the proton
ordering process. At room temperature, the nuclear density
of the proton shows an elongation along two oxygen atoms
with a distance between these two oxygen atoms of 2.504 Å.
At 2.3 K, the proton density becomes more symmetrical, which
is unusual in the hydrogen bonded systems reported thus far.
The distance between two oxygen atoms is then 2.472 Å.
Based on an analysis of the anisotropic displacement
parameters, the hydrogen bond in the title compound seems to
be a centered hydrogen bond or an intermediate form between
a cigar-like shape and a disk-like shape.},
cin = {JCNS-FRM-II / JCNS-2 / JARA-FIT / MLZ / IEK-1},
ddc = {530},
cid = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
I:(DE-Juel1)JCNS-2-20110106 / $I:(DE-82)080009_20140620$ /
I:(DE-588b)4597118-3 / I:(DE-Juel1)IEK-1-20101013},
pnm = {6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
/ 6G15 - FRM II / MLZ (POF3-6G15)},
pid = {G:(DE-HGF)POF3-6G4 / G:(DE-HGF)POF3-6G15},
experiment = {EXP:(DE-MLZ)HEIDI-20140101},
typ = {PUB:(DE-HGF)21},
UT = {WOS:000500716100010},
doi = {10.7566/JPSJ.88.124601},
url = {https://juser.fz-juelich.de/record/866415},
}