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The crystal structures of H2SO4 and (H3O)(HSO4) have been refined with good accuracy (R = 0.027 and 0.033, respectively) making a discussion of hydrogen bonding now possible. In sulfuric acid the S-O and S-OH distances are 1.426 (1) and 1.537 (1) Å, respectively, and the structure is characterized by layers of hydrogen-connected SO4 tetrahedra forming 44 nets. In oxonium hydrogen sulfate the HSO4- tetrahedra form infinite hydrogen-bonded chains which are linked by H3O+ ions forming double layers.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks I, II, global

fcf

Structure factor file (CIF format)
Contains datablock I

fcf

Structure factor file (CIF format)
Contains datablock II

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