Synthesis and structure of a stuffed derivative of α-quartz, Mg0.5AlSiO4

Xu, Hongwu; Heaney, Peter J.; Yu, Ping; Xu, Huifang

doi:10.2138/am-2015-5303

Title: Synthesis and structure of a stuffed derivative of α-quartz, Mg_0.5AlSiO₄

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Abstract

A structural derivative of quartz with the composition Mg_0.5AlSiO₄ has been grown from glass and characterized using synchrotron X-ray diffraction (XRD), transmission electron microscopy (TEM), and ²⁹Si nuclear magnetic resonance (NMR) spectroscopy. Rietveld analysis of the XRD data indicates that the framework of Mg_0.5AlSiO₄ is isostructural with α-quartz, rather than β-quartz, as is consistent with previous theoretical modeling (Sternitzke and Müller 1991). Al and Si exhibit long-range disorder over the framework tetrahedral sites, indicated by the absence of the superlattice reflections corresponding to the doubling of c relative to that of quartz. Nevertheless, ²⁹Si NMR measurements show that Al and Si exhibit partial short-range order with an ordering degree of 56%. Electron diffraction reveals superlattice reflections indicative of doubled periodicities along the a-axes. In conclusion, Fourier electron density maps show that Mg occupies channel sites that each are bonded to six O atoms, in contrast to the tetrahedral coordination of Li in the β-quartz-type framework for β-eucryptite, LiAlSiO₄. Furthermore, the concentrations of Mg in adjacent channels are different, resulting in framework distortions that generate the superstructures along a.

Authors:

^[1]; Heaney, Peter J. ^[2]; Yu, Ping ^[3]; Xu, Huifang ^[4]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Pennsylvania State Univ., University Park, PA (United States). Dept. of Geosciences
Univ. of California, Davis, CA (United States). Nuclear Magnetic Resonance Facility
Univ. of Wisconsin, Madison, WI (United States). Dept. of Geoscience

Publication Date:: Thu Oct 01 00:00:00 EDT 2015

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1454987

Report Number(s):: LA-UR-15-20135
Journal ID: ISSN 0003-004X; TRN: US1901185

Grant/Contract Number:: AC52-06NA25396; AC02-98CH10886; EAR11-47728

Resource Type:: Accepted Manuscript

Journal Name:: American Mineralogist

Additional Journal Information:: Journal Volume: 100; Journal Issue: 10; Journal ID: ISSN 0003-004X

Publisher:: Mineralogical Society of America

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 58 GEOSCIENCES; Quartz; Eucryptite; Stuffed derivative; Synthesis; Crystal structure; Synchrotron X-ray diffraction; Transmission electron microscopy; Nuclear magnetic resonance spectroscopy; Material Science; Planetary Sciences

Citation Formats


                    Xu, Hongwu, Heaney, Peter J., Yu, Ping, and Xu, Huifang. Synthesis and structure of a stuffed derivative of α-quartz, Mg0.5AlSiO4.  United States: N. p., 2015. 
Web.  doi:10.2138/am-2015-5303.

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                    Xu, Hongwu, Heaney, Peter J., Yu, Ping, & Xu, Huifang. Synthesis and structure of a stuffed derivative of α-quartz, Mg0.5AlSiO4.  United States.  https://doi.org/10.2138/am-2015-5303

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                    Xu, Hongwu, Heaney, Peter J., Yu, Ping, and Xu, Huifang. Thu .  
"Synthesis and structure of a stuffed derivative of α-quartz, Mg0.5AlSiO4".  United States.  https://doi.org/10.2138/am-2015-5303.  https://www.osti.gov/servlets/purl/1454987.

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@article{osti_1454987,

  title        = {Synthesis and structure of a stuffed derivative of α-quartz, Mg0.5AlSiO4},

  author       = {Xu, Hongwu and Heaney, Peter J. and Yu, Ping and Xu, Huifang},

  abstractNote = {A structural derivative of quartz with the composition Mg0.5AlSiO4 has been grown from glass and characterized using synchrotron X-ray diffraction (XRD), transmission electron microscopy (TEM), and 29Si nuclear magnetic resonance (NMR) spectroscopy. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 is isostructural with α-quartz, rather than β-quartz, as is consistent with previous theoretical modeling (Sternitzke and Müller 1991). Al and Si exhibit long-range disorder over the framework tetrahedral sites, indicated by the absence of the superlattice reflections corresponding to the doubling of c relative to that of quartz. Nevertheless, 29Si NMR measurements show that Al and Si exhibit partial short-range order with an ordering degree of 56%. Electron diffraction reveals superlattice reflections indicative of doubled periodicities along the a-axes. In conclusion, Fourier electron density maps show that Mg occupies channel sites that each are bonded to six O atoms, in contrast to the tetrahedral coordination of Li in the β-quartz-type framework for β-eucryptite, LiAlSiO4. Furthermore, the concentrations of Mg in adjacent channels are different, resulting in framework distortions that generate the superstructures along a.},

  doi          = {10.2138/am-2015-5303},

  journal      = {American Mineralogist},

  number       = 10,

  volume       = 100,

  place        = {United States},

  year         = {Thu Oct 01 00:00:00 EDT 2015},

  month        = {Thu Oct 01 00:00:00 EDT 2015}

}

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Title: Synthesis and structure of a stuffed derivative of α-quartz, Mg0.5AlSiO4

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Title: Synthesis and structure of a stuffed derivative of α-quartz, Mg_0.5AlSiO₄