Structure of the α-phase of solid methanol

Abstract

The crystal structure of α-methanol at 15K has been determined from neutron powder diffraction measurements. The structure is orthorhombic, space group P212121. The molecular geometry is found to be very similar to that in the gas phase, but the methyl group no longer has ideal 3-fold symmetry. The crystal is formed by infinite hydrogen-bonded chains of molecules with adjacent chains ‘pointing’ in opposite directions. The O-H … O hydrogen bonds are almost linear. No phase intermediate between the low temperature α-phase and the high temperature β-phase was found, but a new, metastable phase was discovered.