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Crystal structure of sinhalite MgAlBO4 under high pressure

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Crystal structure of sinhalite MgAlBO4 under high pressure

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Santamaría Pérez, D.; Errandonea, D.; Gomis, O.; Sans Tresserras, JÁ.; Pereira, ALJ.; Manjón Herrera, FJ.; Popescu, C.... (2015). Crystal structure of sinhalite MgAlBO4 under high pressure. Journal of Physical Chemistry C. 119(12):6777-6784. doi:10.1021/jp512131e

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Title: Crystal structure of sinhalite MgAlBO4 under high pressure
Author: Santamaría Pérez, David Errandonea, Daniel Gomis, O. Sans Tresserras, Juan Ángel Pereira, A. L. J. Manjón Herrera, Francisco Javier Popescu, Catalin Rodríguez Hernández, Plácida Muñoz, Alfonso
UPV Unit: Universitat Politècnica de València. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica
Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada
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We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa ...[+]
Subjects: Augmented-wave method , Powder diffraction , Single-crystal , Chemistry , Olivine , Compression , Cations , Spinel , Oxides , GPA
Copyrigths: Reserva de todos los derechos
Journal of Physical Chemistry C. (issn: 1932-7447 ) (eissn: 1932-7455 )
DOI: 10.1021/jp512131e
American Chemical Society
Publisher version: http://dx.doi.org/10.1021/jp512131e
Description: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp512131e
This study was supported by the Spanish government MEC under Grants No: MAT2010-21270-C04-01/03/04, MAT2013-46649-C4-1/2/3-P, and CTQ2009-14596-C02-01, by the Comunidad de Madrid and European Social Fund (S2009/PPQ1551 ...[+]
Type: Artículo

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