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Structures of the chain metaphosphates NaM(PO 3 ) 3 (M = Ca or Sr)
Author(s) -
Abrahams I.,
Hawkes G. E.,
Ahmed A.,
Di Cristina T.,
Demetriou D. Z.,
Ivanova G. I.
Publication year - 2008
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2161
Subject(s) - chemistry , metaphosphate , isostructural , crystallography , octahedron , dodecahedron , magic angle spinning , crystal structure , ionic radius , nuclear magnetic resonance spectroscopy , hydroxymethyl , solid state nuclear magnetic resonance , ion , stereochemistry , nuclear magnetic resonance , physics , phosphate , organic chemistry
Solid‐state 23 Na and 31 P magic‐angle spinning nuclear magnetic resonance spectroscopy and X‐ray crystallography have been used to study the structures of the chain metaphosphates NaCa(PO 3 ) 3 and NaSr(PO 3 ) 3 . The compounds are isostructural and crystallise in space group P −1 with the following parameters: NaCa(PO 3 ) 3 , a = 6.711 Å, b = 6.934 Å, c = 7.619 Å, α = 83.44° , β = 81.41° , γ = 82.80° ; NaSr(PO 3 ) 3 a = 6.805 Å, b = 7.133 Å, c = 7.720 Å and α = 83.71° , β = 80.48° , γ = 82.87° . Both structures contain anionic metaphosphate chains of (PO 3 ) n n with ionic contacts to Na + ions in distorted octahedral sites and Ca 2+ (or Sr 2+ ) in distorted dodecahedral sites. 31 P and 23 Na NMR are entirely consistent with the crystallographic data and an empirical method for assigning 31 P resonances to particular crystallographically unique P atoms is described. Copyright © 2008 John Wiley & Sons, Ltd.