Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study
Abstract
High-temperature structural behavior of a stuffed derivative of -quartz, Mg0.5AlSiO4, has been investigated using in situ synchrotron-based angle-dispersive powder X-ray diffraction (XRD) from 299 to 1273K. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 remains isostructural with -quartz throughout the temperature range tested. As in -quartz, unit-cell parameters a and c and cell volume V of Mg0.5AlSiO4 increase with increasing temperature, primarily due to progressive tilting of [(Al,Si)O-4] tetrahedra along the a axes. However, the rates of increase in the cell parameters and the rate of decrease in the tetrahedral tilt angle () are much smaller for Mg0.5AlSiO4 than for -quartz. This behavior can be attributed to the occupancy of Mg2+ over the octahedral channel sites in the -quartz-type framework, effectively hindering the [(Al,Si)O-4] tetrahedral tilting. As a result, the - to -quartz phase transformation, which exists in silica at 846K, does not occur in Mg0.5AlSiO4 up to 1273K, and probably beyond, to its melting point.
- Authors:
-
[1];
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Pennsylvania State Univ., University Park, PA (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1532720
- Alternate Identifier(s):
- OSTI ID: 1576969; OSTI ID: 1630418
- Report Number(s):
- LA-UR-19-21198
Journal ID: ISSN 0342-1791
- Grant/Contract Number:
- 89233218CNA000001; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physics and Chemistry of Minerals
- Additional Journal Information:
- Journal Volume: 46; Journal Issue: 7; Journal ID: ISSN 0342-1791
- Publisher:
- Springer
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 58 GEOSCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Earth Sciences; Material Science; α-Quartz; Stuffed derivative; Crystal structure; High temperature; Thermal expansion; Synchrotron X-ray diffraction; Rietveld analysis; crystal structure; high temperature; stuffed derivative; synchrotron X-ray diffraction; thermal expansion; x-quartz; alpha-Quartz
Citation Formats
Xu, Hongwu, Lü, Xujie, Heaney, Peter J., and Ren, Yang. Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study. United States: N. p., 2019.
Web. doi:10.1007/s00269-019-01033-1.
Xu, Hongwu, Lü, Xujie, Heaney, Peter J., & Ren, Yang. Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study. United States. https://doi.org/10.1007/s00269-019-01033-1
Xu, Hongwu, Lü, Xujie, Heaney, Peter J., and Ren, Yang. Thu .
"Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study". United States. https://doi.org/10.1007/s00269-019-01033-1. https://www.osti.gov/servlets/purl/1532720.
@article{osti_1532720,
title = {Structural behavior of a stuffed derivative of α-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study},
author = {Xu, Hongwu and Lü, Xujie and Heaney, Peter J. and Ren, Yang},
abstractNote = {High-temperature structural behavior of a stuffed derivative of -quartz, Mg0.5AlSiO4, has been investigated using in situ synchrotron-based angle-dispersive powder X-ray diffraction (XRD) from 299 to 1273K. Rietveld analysis of the XRD data indicates that the framework of Mg0.5AlSiO4 remains isostructural with -quartz throughout the temperature range tested. As in -quartz, unit-cell parameters a and c and cell volume V of Mg0.5AlSiO4 increase with increasing temperature, primarily due to progressive tilting of [(Al,Si)O-4] tetrahedra along the a axes. However, the rates of increase in the cell parameters and the rate of decrease in the tetrahedral tilt angle () are much smaller for Mg0.5AlSiO4 than for -quartz. This behavior can be attributed to the occupancy of Mg2+ over the octahedral channel sites in the -quartz-type framework, effectively hindering the [(Al,Si)O-4] tetrahedral tilting. As a result, the - to -quartz phase transformation, which exists in silica at 846K, does not occur in Mg0.5AlSiO4 up to 1273K, and probably beyond, to its melting point.},
doi = {10.1007/s00269-019-01033-1},
journal = {Physics and Chemistry of Minerals},
number = 7,
volume = 46,
place = {United States},
year = {Thu Apr 11 00:00:00 EDT 2019},
month = {Thu Apr 11 00:00:00 EDT 2019}
}
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