Si-Al distribution in high-pressure CaAl4Si2O 11 phase: A 29Si and27Al NMR study

Xianyu Xue, Shuangmeng Zhai, Masami Kanzaki

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


High-resolution 29Si and 27Al NMR techniques have been, applied to resolve the Si-Al distribution, and coordination in the high-pressure CaAl4Si2O11 (CAS) phase, a potentially important mineral in subducted crustal materials in the deep mantle that has a unique hexagonal ferrite structure containing two octahedral (M1; M2) and one trigonal bipyramidal sites. The 29Si MAS NMR spectra of the CAS phase synthesized at 20 GPa and 1400∼1600 °C show two broad, asymmetric peaks near -92.7 and -182.7 ppm with an intensity ratio of 1:3, suggesting that 1/4 of the Si are in tetrahedral coordination and 3/4 in octahedral coordination. Therefore, the trigonal bipyramidal and M1 octahedral sites are each occupied by equal proportions of Si and Al, and the former are effectively half-occupied face-sharing tetrahedra (at least for Si). The 27Al MAS and 3Q MAS NMR, spectra contain only one unresolved peak typical, of octahedral Al with a range of quadrupolar coupling constants.

Original languageEnglish
Pages (from-to)1739-1742
Number of pages4
JournalAmerican Mineralogist
Issue number11-12
Publication statusPublished - 2009


  • Al and si coordination
  • CAS phase
  • High pressure
  • NMR spectroscopy
  • Si-Al disorder

ASJC Scopus subject areas

  • Geophysics
  • Geochemistry and Petrology


Dive into the research topics of 'Si-Al distribution in high-pressure CaAl4Si2O 11 phase: A 29Si and27Al NMR study'. Together they form a unique fingerprint.

Cite this