The high-pressure behavior of kernite [ideally Na2B4O6(OH)2·3H2O, a ~ 7.02 Å, b ~ 9.16 Å, c ~ 15.68 Å, β = 108.9°, Sp Gr P21/c, at ambient conditions], an important B-bearing raw material (with B2O3 ≈ 51 wt%) and a potential B-rich aggregate in radiation shielding materials, has been studied by single-crystal synchrotron X-ray diffraction up to 14.6 GPa. Kernite undergoes an iso-symmetric phase transition at 1.6-2.0 GPa (to kernite-II). Between 6.6-7.5 GPa, kernite undergoes a second phase transition, possibly iso-symmetric in character (to kernite-III). The crystal structure of kernite-II was solved and refined. The isothermal bulk modulus (KV0 = β-1 P0,T0, where βP0,T0 is the volume compressibility coefficient) of the ambient-pressure polymorph of kernite was found to be KV0 = 29(1) GPa and a marked anisotropic compressional pattern, with K(a)0: K(b)0: K(c)0~1:3:1.5., was observed. In kernite-II, the KV0 increases to 43.3(9) GPa and the anisotropic compressional pattern increases pronouncedly. The mechanisms, at the atomic scale, which govern the structure deformation, have been described.

High-pressure behavior and phase stability of Na2B4O6(OH)2·3H2O (kernite) / D. Comboni, F. Pagliaro, G.D. Gatta, P. Lotti, S. Milani, M. Merlini, T. Battiston, K. Glazyrin, H. Liermann. - In: JOURNAL OF THE AMERICAN CERAMIC SOCIETY. - ISSN 0002-7820. - 103:9(2020 Sep), pp. 5291-5301.

High-pressure behavior and phase stability of Na2B4O6(OH)2·3H2O (kernite)

Comboni, Davide;Pagliaro, Francesco;Gatta, G. Diego;Lotti, Paolo;Milani, Sula;Merlini, Marco;Battiston, Tommaso;
2020-09

Abstract

The high-pressure behavior of kernite [ideally Na2B4O6(OH)2·3H2O, a ~ 7.02 Å, b ~ 9.16 Å, c ~ 15.68 Å, β = 108.9°, Sp Gr P21/c, at ambient conditions], an important B-bearing raw material (with B2O3 ≈ 51 wt%) and a potential B-rich aggregate in radiation shielding materials, has been studied by single-crystal synchrotron X-ray diffraction up to 14.6 GPa. Kernite undergoes an iso-symmetric phase transition at 1.6-2.0 GPa (to kernite-II). Between 6.6-7.5 GPa, kernite undergoes a second phase transition, possibly iso-symmetric in character (to kernite-III). The crystal structure of kernite-II was solved and refined. The isothermal bulk modulus (KV0 = β-1 P0,T0, where βP0,T0 is the volume compressibility coefficient) of the ambient-pressure polymorph of kernite was found to be KV0 = 29(1) GPa and a marked anisotropic compressional pattern, with K(a)0: K(b)0: K(c)0~1:3:1.5., was observed. In kernite-II, the KV0 increases to 43.3(9) GPa and the anisotropic compressional pattern increases pronouncedly. The mechanisms, at the atomic scale, which govern the structure deformation, have been described.
borates; high-pressure; phase-transitions; single crystals; X-ray methods
Settore GEO/09 - Georisorse Miner.Appl.Mineral.-Petrogr.per l'amb.e i Beni Cul
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
Article (author)
File in questo prodotto:
File Dimensione Formato  
Kernite_preprint.pdf

accesso aperto

924.32 kB Adobe PDF Visualizza/Apri
Kernite_JACS2020.pdf

non disponibili

913.9 kB Adobe PDF   Visualizza/Apri   Richiedi una copia
Pubblicazioni consigliate

Caricamento pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/736319
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 5
  • ???jsp.display-item.citation.isi??? 6
social impact