Four samples of bakerite, Ca4B5Si3O15(OH)(5), were studied by means of IR, TG/DSC, EPMA, and X-ray and neutron diffraction. Chemical analyses can readily discriminate bakerite from datolite, Ca4B4Si4O16(OH)(4), by the distinctly lower SiO2 content of the former. The Rietveld refinement of the combined neutron and X-ray powder data allow the determination of the crystal structure of bakerite to R-p 3.09%. The crystal structure can be derived from that of datolite by the substitution 0.25Si(4+) + 0.25O(2-) <----> 0.25B(3+) + 0.25(OH)(-) at the Si-centered tetrahedral site. This leads to the crystal chemical formula Ca(4)B(5)Si(3)0O(15)(OH)(5). Both of the two hydrogen positions in the bakerite structure, one with full occupancy, the other with 25% occupancy, were precisely located. The water molecule generally thought to be present in bakerite structure is actually absent. The excess water detected in chemical analyses can be attributed to the presence of minor impurities. Given the consistent composition of bakerite from various localities and no evidence for Substitution of B for Si in datolite, bakerite is retained as a distinct species. A possible explanation of the peculiar 5:3 boron to silicon ratio in bakerite is provided.

The atomic structure of bakerite and its relationship to datolite / Perchiazzi, N; Gualtieri, Alessandro; Merlino, S; Kampf, Ar. - In: AMERICAN MINERALOGIST. - ISSN 0003-004X. - STAMPA. - 89:5-6(2004), pp. 767-776. [10.2138/am-2004-5-610]

The atomic structure of bakerite and its relationship to datolite

GUALTIERI, Alessandro;
2004

Abstract

Four samples of bakerite, Ca4B5Si3O15(OH)(5), were studied by means of IR, TG/DSC, EPMA, and X-ray and neutron diffraction. Chemical analyses can readily discriminate bakerite from datolite, Ca4B4Si4O16(OH)(4), by the distinctly lower SiO2 content of the former. The Rietveld refinement of the combined neutron and X-ray powder data allow the determination of the crystal structure of bakerite to R-p 3.09%. The crystal structure can be derived from that of datolite by the substitution 0.25Si(4+) + 0.25O(2-) <----> 0.25B(3+) + 0.25(OH)(-) at the Si-centered tetrahedral site. This leads to the crystal chemical formula Ca(4)B(5)Si(3)0O(15)(OH)(5). Both of the two hydrogen positions in the bakerite structure, one with full occupancy, the other with 25% occupancy, were precisely located. The water molecule generally thought to be present in bakerite structure is actually absent. The excess water detected in chemical analyses can be attributed to the presence of minor impurities. Given the consistent composition of bakerite from various localities and no evidence for Substitution of B for Si in datolite, bakerite is retained as a distinct species. A possible explanation of the peculiar 5:3 boron to silicon ratio in bakerite is provided.
2004
89
5-6
767
776
The atomic structure of bakerite and its relationship to datolite / Perchiazzi, N; Gualtieri, Alessandro; Merlino, S; Kampf, Ar. - In: AMERICAN MINERALOGIST. - ISSN 0003-004X. - STAMPA. - 89:5-6(2004), pp. 767-776. [10.2138/am-2004-5-610]
Perchiazzi, N; Gualtieri, Alessandro; Merlino, S; Kampf, Ar
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

Licenza Creative Commons
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/4438
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 22
  • ???jsp.display-item.citation.isi??? 20
social impact