Crystallographic analysis of phase transformations in danburite CaSi2B2O8

S. V. Borisov, S. A. Magarill, N. V. Pervukhina

Research output: Contribution to journalArticlepeer-review

Abstract

The crystallographic analysis of the structures of danburite CaSi2B2O8, which is orthorhombic (Pnma) at normal pressure, triclinic (P1 ¯) at a pressure of 25.4 GPa, and monoclinic (P21/c) at a pressure of 32.3 GPa, shows that they are based on a joint packing of Ca cations and O anions whose regularity increases with pressure. A common structural fragment is the configuration of atoms related by the glide reflection plane retaining for Ca and a part of O, B positions with a possible Si migration according to the seesaw mechanism (N. V. Belov).

Original languageEnglish
Pages (from-to)1059-1067
Number of pages9
JournalJournal of Structural Chemistry
Volume61
Issue number7
DOIs
Publication statusPublished - 1 Jul 2020

Keywords

  • cation and anion sublattices
  • crystallographic analysis
  • danburite phases under pressure
  • pseudo symmetry
  • stable fragments
  • symmetry–stability
  • SYMMETRY
  • symmetry-stability

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