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American Chemical Society, Journal of Physical Chemistry C, 32(112), p. 12515-12523, 2008

DOI: 10.1021/jp801985h

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Structure of tetrakis(melaminium) bis(dihydrogenphosphate) monohydrogenphosphate trihydrate from X-ray powder diffraction and solid-state NMR spectroscopy

This paper is available in a repository.
This paper is available in a repository.

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Abstract

The crystal structure of the melamine phosphate salt tetrakis(melaminium) bis(dihydrogenphosphate) monohydrogenphosphate trihydrate with as much as ten independent moieties in the unit cell was determined by a direct-space global optimization technique from X-ray powder diffraction data using additional geometry constraints obtained by 31P double-quantum solid-state NMR spectroscopy. The structure analysis of the compound and its comparison with other melamine phosphates reveals the packing and bonding characteristics that are important for melamine-phosphate salts with a melamine-to-phosphor ratio larger than one, which are promising environmental-friendly flame retardants.