Crystal structures of K-cymrite and kokchetavite from single-crystal X-ray diffraction

Alexandr V. Romanenko, Sergey V. Rashchenko, Alexander G. Sokol, Andrey V. Korsakov, Yurii V. Seryotkin, Konstantin V. Glazyrin, Kira Musiyachenko

Research output: Contribution to journalArticlepeer-review

Abstract

We determined for the first time the crystal structures of high-pressure K-cymrite (KAlSi3O8·H2O) and its dehydrated form kokchetavite (KAlSi3O8) using single-crystal X-ray difraction. The K-cymrite structure has been successfully refined in the hexagonal space group P6/mmm [a = 5.3361(3) Å, c = 7.7081(7) Å, V = 190.08(3) Å3, R1 = 0.036 for 127 unique observed reflections], which is in agreement with previous models from powder X-ray difraction. In contrast, kokchetavite shows superstructural reflections, suggesting a diferent unit cell and a space group of P6/mcc [a = 10.5757(3) Å, c = 15.6404(6) Å, V = 1514.94(10) Å3, R1 = 0.068 for 1455 unique observed reflections]. Upon dehydration, single-crystal grains of K-cymrite transform into single-crystal grains of kokchetavite. The latter questions a previous interpretation of kokchetavite crystals in mineral inclusions as a product of direct crystallization from fluid/melt. The Raman spectrum of K-cymrite shows a strong polarization dependence, which is important in identification of the mineral inclusions.

Original languageEnglish
Pages (from-to)404-409
Number of pages6
JournalAmerican Mineralogist
Volume106
Issue number3
DOIs
Publication statusPublished - 26 Mar 2021

Keywords

  • K-cymrite
  • kokchetavite
  • Raman spectroscopy
  • single-crystal X-ray diffraction

OECD FOS+WOS

  • 1.05 EARTH AND RELATED ENVIRONMENTAL SCIENCES

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